III.F.1. (I.A.4.)

List of which calculations are completed at PBEPBEultrafine /cc-pVDZ

count	Species	Name	State	Conformation
1	H	Hydrogen atom	¹S	K_h
2	H^-	Hydrogen atom anion	²S	K_h
3	H₂	Hydrogen diatomic	¹Σ_g	D_∞h
4	H₂^-	hydrogen diatomic anion	²Σ_u⁺	D_∞h
5	H₂⁺	Hydrogen cation	²Σ_g⁺	D_∞h
6	He	Helium atom	¹S	K_h
7	He	Helium atom
8	He⁺	Helium atom cation	²S	K_h
9	HeH⁺	Helium hydride cation	¹Σ	C_∞v
10	He₂⁺	helium diatomic cation	²Σ_u	D_∞h
11	Li	Lithium atom	²S	K_h
12	Li^-	Lithium atom anion	¹S	K_h
13	Li⁺	Lithium atom cation	¹S	K_h
14	Na	Sodium atom	²S	K_h
15	Na⁺	Sodium atom cation	¹S	K_h
16	LiH	Lithium Hydride	¹Σ	C_∞v
17	LiH⁺	lithium hydride cation	²Σ	C_∞v
18	NaH	sodium hydride	¹Σ	C_∞v
19	NaH⁺	sodium hydride cation	²Σ	C_∞v
20	Be	Beryllium atom	¹S	K_h
21	Be⁺	Beryllium atom cation	²S	K_h
22	Mg	Magnesium atom	¹S	K_h
23	Mg⁺	Magnesium atom cation	²S	K_h
24	BeH	beryllium monohydride	²Σ	C_∞v
25	MgH	magnesium monohydride	²Σ	C_∞v
26	CaH	Calcium monohydride	²Σ	C_∞v
27	CaH⁺	Calcium monohydride cation	²Σ	C_∞v
28	TiH	Titanium monohydride	⁴Φ	C_∞v
29	ZnH⁺	Zinc, protonated
30	BeH₂	beryllium dihydride	¹Σ_g	D_∞h
31	BeH₂⁺	Beryllium dihydride cation	²Σ	C_∞v
32	BeH₂⁺	Beryllium dihydride cation	²Σ_u	D_∞h
33	BeH₂⁺	Beryllium dihydride cation
34	MgH₂	magnesium dihydride	¹Σ_g	D_∞h
35	B	Boron atom	²P	K_h
36	B	Boron atom	⁴P	K_h
37	B⁺	Boron atom cation	¹S	K_h
38	Al	Aluminum atom	²P	K_h
39	Al^-	Aluminum atom anion	³P	K_h
40	Al⁺	Aluminum atom cation	¹S	K_h
41	Sc	Scandium atom	²D	K_h
42	Sc⁺	Scandium cation	³D	K_h
43	Ga	Gallium atom	²P
44	Ga^-	Gallium atom anion	³P	O_h
45	Ga⁺	Gallium atom cation	¹S
46	BH	Boron monohydride	¹Σ	C_∞v
47	BH	Boron monohydride	³Π	C_∞v
48	BH^-	boron monohydride anion	⁴Σ	C_∞v
49	ScH	Scandium monohydride	¹Σ	C_∞v
50	ScH⁺	Scandium monohydride cation	²Σ	C_∞v
51	GaH	Gallium monohydride	¹Σ	C_∞v
52	GaH⁺	Gallium monohydride cation	²Σ	C_∞v
53	BH₂^-	boron dihydride anion	³B₁	C_2v
54	BH₂^-	boron dihydride anion	¹A₁	C_2v
55	BH₂⁺	Boron dihydride cation	¹Σ_g	D_∞h
56	BH₃	boron trihydride	¹A₁^'	D_3h
57	BH₃⁺	boron trihydride cation	²B₂	C_2v
58	BH₃⁺	boron trihydride cation		C_2v
59	AlH₃	aluminum trihydride	¹A₁^'	D_3h
60	AlH₃^-	aluminum trihydride anion		C_3v
61	ScH₃	Scandium trihydride	¹A₁^'	D_3h
62	ScH₃	Scandium trihydride	¹A₁	C_3v
63	GaH₃	Gallium trihydride	¹A₁^'	D_3h
64	BH₄	borohydride	²B₂	C_2v
65	BH₄^-	borohydride anion	¹A₁	T_d
66	C	Carbon atom	³P₀	K_h
67	C	Carbon atom	³P₁	K_h
68	C^-	Carbon atom anion	²D	K_h
69	C⁺	Carbon atom cation	²P	K_h
70	Si	Silicon atom	³P	K_h
71	Si	Silicon atom	¹S	K_h
72	Si^-	Silicon atom anion	⁴S	K_h
73	Si⁺	Silicon atom cation	²P	K_h
74	Ge	Germanium atom	³P	K_h
75	Ge^-	Germanium anion	⁴S	K_h
76	Ge⁺	Germanium cation	²P	K_h
77	CH	Methylidyne	²Π_1/2	C_∞v
78	SiH	Silylidyne	²Π	C_∞v
79	SiH^-	silicon monohydride anion	³Σ	C_∞v
80	SiH⁺	silicon monohydride cation	¹Σ	C_∞v
81	GeH	germylidene	²Π	C_∞v
82	GeH⁺	Germaniun monohyrdide cation	¹Σ	C_∞v
83	CH₂	Methylene	³B₁	C_2v
84	CH₂	Methylene	³Σ_G	D_∞h
85	CH₂	Methylene	¹A₁	C_2v
86	CH₂^-	methylene anion	²B₁	C_2v
87	CH₂⁺	methylene cation	²A₁	C_2v
88	CH₂⁺	methylene cation	²Π	D_∞h
89	SiH₂	silicon dihydride	¹A₁	C_2v
90	SiH₂	silicon dihydride	³B₁	C_2v
91	GeH₂	germylene	¹A₁	C_2v
92	GeH₂^-	germylene anion	²B₁	C_2v
93	CH₃	Methyl radical	²A₁	D_3h
94	CH₃^-	methyl anion	¹A₁	C_3v
95	CH₃⁺	methyl cation	¹A₁^'	D_3h
96	SiH₃	Silyl radical	²A₁	C_3v
97	SiH₃⁺	Silyl cation	¹A₁^'	D_3h
98	GeH₃	Germyl radical	²A₁	C_3v
99	GeH₃⁺	germyl cation	¹A₁^'	D_3h
100	CD₄	methane-d4	¹A₁	T_d
101	CH₂D₂	methane-d2	¹A₁	C_2v
102	CH₃D	methane-d	¹A₁	C_3v
103	CH₄	Methane	¹A₁	T_d
104	CH₄^-	Methane anion	²A₁	T_d
105	CHD₃	methane-d3	¹A₁	C_3v
106	SiH₂D₂	silane-d2
107	SiH₄	Silane	¹A₁	T_d
108	GeH₄	Germane	¹A₁	T_d
109	SiH₅⁺	Silane, protonated
110	N	Nitrogen atom	⁴S	K_h
111	N	Nitrogen atom	²D	K_h
112	N⁺	Nitrogen atom cation	³P	K_h
113	P	Phosphorus atom	⁴S	K_h
114	V	Vanadium atom	⁴F	K_h
115	V⁺	Vanadium atom cation	⁵D	K_h
116	As	Arsenic atomic	⁴S	K_h
117	As^-	Arsenic anion	³P	K_h
118	As⁺	Arsenic cation	³P	K_h
119	PH	phosphorus monohydride	³Σ^-	C_∞v
120	AsH	Arsenic monohydride	³Σ	C_∞v
121	AsH	Arsenic monohydride	¹Σ	C_∞v
122	AsH⁺	Arsenic monohydride cation	²Π	C_∞v
123	NH₂	Amino radical	²B₁	C_2v
124	NH₂⁺	Amino cation	³B₁	C_2v
125	NH₂⁺	Amino cation	¹A₁	C_2v
126	AsH₂⁺	Arsenic dihydride cation	¹A₁	C_2v
127	NH₃	Ammonia	¹A₁	C_3v
128	NH₃^-	Ammonia anion	²A₁	C_3v
129	NH₃⁺	ammonia cation	²A₂^"	D_3h
130	PH₃	Phosphine	¹A₁	C_3v
131	PH₃⁺	Phosphine cation	²A₁	C_3v
132	AsH₃	Arsine	¹A₁	C_3v
133	AsH₃⁺	Arsine cation	²A₁	C_3v
134	AsH₄⁺	Arsonium
135	NH₄	Ammonium radical
136	NH₄⁺	ammonium cation	¹A₁	T_d
137	PH₄	Phosphoranyl radical
138	PH₄⁺	phosphonium cation
139	O	Oxygen atom	³S	K_h
140	O⁺	Oxygen atom cation	⁴S	K_h
141	S	Sulfur atom	³P	K_h
142	S	Sulfur atom
143	S^-	Sulfur atom anion	²P	K_h
144	S⁺	Sulfur atom cation	⁴S	K_h
145	Se	Selenium atom	³P	K_h
146	Se^-	Selenium atom anion	²P	K_h
147	Se⁺	Selenium atom cation	⁴S	K_h
148	OH	Hydroxyl radical	²Π	C_∞v
149	OH^-	hydroxide anion	¹Σ	C_∞v
150	OH⁺	hydoxyl cation	³Σ	C_∞v
151	HS	Mercapto radical	²Π	C_∞v
152	HS^-	mercapto anion	¹Σ	C_∞v
153	HS⁺	sulfur monohydride cation	³Σ	C_∞v
154	CrH	Chromium hydride	⁶Σ	C_∞v
155	CrH⁺	Chromium hydride cation	⁵Σ	C_∞v
156	HSe	Selenium monohydride	²Π	C_∞v
157	HSe^-	selenium monohydride anion	¹Σ	C_∞v
158	HSe⁺	selenium monohydride cation	³Σ	C_∞v
159	H₂O	Water	¹A₁	C_2v
160	H₂O^-	water anion	²A₁	C_2v
161	H₂O^-	water anion	²A^'	C_s
162	H₂O⁺	water cation	²B₁	C_2v
163	HDO	Water-d1	¹A₁	C_2v
164	H₂S	Hydrogen sulfide	¹A₁	C_2v
165	H₂S^-	Hydrogen sulfide anion	²A^'	C_s
166	H₂S⁺	Hydrogen sulfide cation	²B₁	C_2v
167	H₂Se	Hydrogen selenide	¹A₁	C_2v
168	H₂Se⁺	Hydrogen selenide cation	²B₁	C_2v
169	H₃O⁺	hydronium cation	¹A₁	C_3v
170	H₃S⁺	Sulfonium cation	¹A₁	C_3v
171	H₃Se⁺	Hydrogen Selenide, protonated	¹A₁	C_3v
172	F	Fluorine atom	²P	K_h
173	F^-	Fluorine atom anion	¹S	K_h
174	F⁺	Fluorine atom cation	³S	K_h
175	F⁺	Fluorine atom cation	¹D	K_h
176	Cl	Chlorine atom	²P	K_h
177	Cl^-	Chlorine atom anion	¹S	K_h
178	Cl⁺	Chlorine atom cation	³P	K_h
179	Cl⁺	Chlorine atom cation	¹D	K_h
180	Br	Bromine atom	²P	K_h
181	Br^-	Bromine atom anion	¹S	K_h
182	Br⁺	Bromine atom cation	³P	K_h
183	HF	Hydrogen fluoride	¹Σ	C_∞v
184	HF^-	hydrogen fluoride anion	²Σ	C_∞v
185	HF⁺	hydrogen fluoride cation	²Π	C_∞v
186	HCl	Hydrogen chloride	¹Σ	C_∞v
187	HCl^-	hydrogen chloride anion	²Σ	C_∞v
188	HCl⁺	hydrogen chloride cation	²Π	C_∞v
189	HBr	hydrogen bromide	¹Σ	C_∞v
190	HBr^-	hydrogen bromide anion	²Σ	C_∞v
191	HBr⁺	hydrogen bromide cation	²Π	C_∞v
192	H₂Cl⁺	dihydrogen monochloride cation	¹A₁	C_2v
193	H₂Br⁺	protonated hydrogen bromide	²A₁	C_2v
194	Ne	Neon atom	¹S	K_h
195	Ne	Neon atom
196	Ne⁺	Neon atom cation	²P	K_h
197	Ar	Argon atom	¹S	K_h
198	Kr	Krypton atom	¹S	K_h
199	Kr⁺	Krypton cation	²P	K_h
200	HeLi⁺	Helium Lithium cation
201	NeH	neon hydrogen	²Σ	C_∞v
202	ArH⁺	Argon hydride cation	¹Σ	C_∞v
203	KrH⁺	Protonated Krypton	¹Σ	C_∞v
204	H₂Ar	H2 Ar dimer	¹Σ	C_∞v
205	Li₂	Lithium diatomic	¹Σ_g	D_∞v
206	NaLi	lithium sodium	¹Σ	C_∞v
207	Na₂	Sodium diatomic	¹Σ_g	D_∞h
208	Na₂^-	sodium diatomic anion	²Σ_u	D_∞h
209	Na₂⁺	sodium diatomic cation	²Σ_g	D_∞h
210	Be₂	Beryllium diatomic	¹Σ_g	D_∞h
211	Be₂	Beryllium diatomic	³Π_g	D_∞h
212	BeMg	Beryllium Magnesium	¹Σ	C_∞v
213	Mg₂	Magnesium diatomic	¹Σ_g	D_∞h
214	Ca₂	Calcium diatomic	¹Σ_G	D_∞h
215	LiB	Lithium boride	³Π	C_∞v
216	LiAl	Lithium Aluminum
217	NaAl	Sodium aluminum	¹Σ	C_∞v
218	BeB	Beryllium monoboride	²Π	C_∞v
219	B₂	Boron diatomic	³Σ_g	D_∞h
220	B₂	Boron diatomic	¹Σ_g	D_∞h
221	B₂	Boron diatomic	⁵Σ_u	D_∞h
222	B₂⁺	Boron diatomic cation	²Π	D_∞h
223	BAl	Boron Aluminum	³Σ	C_∞v
224	BGa	Boron Gallium	³Σ	C_∞v
225	AlGa	Aluminum Gallium	³Σ	C_∞v
226	AlGa	Aluminum Gallium	¹Σ	C_∞v
227	Ga₂	Gallium diatomic	³P_iu
228	HBBH	Diborane(2)	³Σ_G	D_∞h
229	LiBH₄	Lithium borohydride	¹A₁	C_3v
230	B₂H₄	Diborane(4) D2d	¹A₁	D_2d
231	HBHHBH	Diborane(4) C2V	¹A₁	C_2v
232	B₂H₆	Diborane	¹A_g	D_2h
233	B₂H₆⁺	Diborane cation
234	Al₂H₆	dialane	¹A_G	D_2h
235	Ga₂H₆	digallane	¹A_G	D_2h
236	LiC	Lithium Carbide	⁴Σ	C_∞v
237	BeC	Beryllium Carbide	³Σ^-	C_∞v
238	BeC	Beryllium Carbide
239	CaC	Calcium monocarbide
240	BC	boron monocarbide	⁴Σ^-	C_∞v
241	AlC	Aluminum carbide	⁴Σ	C_∞v
242	BSi	Boron silicide	⁴Σ	C_∞v
243	BSi	Boron silicide	²Σ	C_∞v
244	C₂	Carbon diatomic	¹Σ_g⁺	D_∞h
245	C₂	Carbon diatomic	³Σ_g^-
246	C₂⁺	carbon diatomic cation	⁴Σ_g	D_∞h
247	SiC	silicon monocarbide	³Σ	C_∞v
248	SiC	silicon monocarbide	¹Σ	C_∞v
249	GeC	Germanium monocarbide	¹Σ	C_∞v
250	SiGe	Silicon Germanium
251	C₂H	Ethynyl radical	²Σ	C_∞v
252	C₂H^-	Ethynyl anion	¹Σ	C_∞v
253	C₂H₂	Acetylene	¹Σ_g	D_∞h
254	C₂H₂⁺	acetylene cation	²Π_u	D_∞h
255	C₂H₂⁺	acetylene cation
256	CCH₂	vinylidene	³B₂	C_2v
257	H₂CC^-	vinylidene anion
258	HCCH^-	acetylene anion
259	HCCH^-	acetylene anion
260	Si₂H₂	disilyne
261	Si₂H₂	disilyne
262	Si₂H₂	disilyne
263	Si₂H₂	disilyne
264	CH₃Li	methyl lithium	¹A₁	C_3v
265	CH₂BH	methyleneborane	¹A₁	C_2v
266	C₂H₃	vinyl	²A^'	C_s
267	C₂H₃^-	vinyl anion	¹A^'	C_s
268	C₂H₃⁺	vinyl cation	¹A₁	C2V bridging H
269	C₂H₃⁺	vinyl cation	¹A₁	C2V HCCH2
270	C₂H₄	Ethylene	¹A_g	D_2h
271	C₂H₄^-	Ethylene anion	²A_g	C_2h
272	C₂H₄⁺	Ethylene cation	²B₃	D₂
273	Si₂H₄	Disilene
274	Si₂H₄	Disilene
275	Si₂H₄	Disilene
276	CH₃BH₂	methylborane	¹A^'	C_s
277	C₂H₅	Ethyl radical	²A^'	C_s
278	C₂H₅^-	Ethyl anion	¹A^'	C_s
279	C₂H₆	Ethane	¹A_1g	D_3d
280	C₂H₆	Ethane	¹A₁^'	D_3h
281	Si₂H₆	disilane	¹E_u	D_3d
282	LiN	Lithium Nitride	³Σ	C_∞v
283	LiP	Lithium monophosphide
284	LiP	Lithium monophosphide
285	BeN	Beryllium mononitride	⁴Σ	C_∞v
286	BeN	Beryllium mononitride	²Π	C_∞v
287	BeN⁺	Beryllium mononitride cation	³Σ	C_∞v
288	BeN⁺	Beryllium mononitride cation	¹Σ	C_∞v
289	MgN	Magnesium Nitride
290	MgN	Magnesium Nitride
291	BP	Boron monophosphide	³Π	C_∞v
292	BP	Boron monophosphide	¹Σ	C_∞v
293	AlP	Aluminum monophosphide	³Σ	C_∞v
294	AlP	Aluminum monophosphide	³Π	C_∞v
295	AlP	Aluminum monophosphide	¹Σ	C_∞v
296	GaN	Gallium mononitride	³Π	C_∞v
297	GaN	Gallium mononitride	¹Σ	C_∞v
298	GaP	Gallium monophosphide	³Σ	C_∞v
299	GaP	Gallium monophosphide	¹Σ	C_∞v
300	GaAs	Gallium arsenide	³Π
301	GaAs	Gallium arsenide	¹Σ
302	BN	boron nitride	³Π	C_∞v
303	BN	boron nitride	¹Σ	C_∞v
304	CN	Cyano radical	²Σ	C_∞v
305	CN^-	cyanide anion	¹Σ	C_∞v
306	SiP	Silicon monophosphide	²Π	C_∞v
307	N₂	Nitrogen diatomic	¹Σ_g	D_∞h
308	N₂	Nitrogen diatomic
309	N₂^-	nitrogen diatomic anion	²Π_g	D_∞h
310	N₂⁺	diatomic nitrogen cation	²Σ_g	D_∞h
311	PN	Phosphorus mononitride	¹Σ	C_∞v
312	P₂	Phosphorus diatomic	¹Σ_g	D_∞h
313	AsN	Arsenic mononitride	¹Σ	C_∞v
314	AsP	Arsenic monophosphide	¹Σ	C_∞v
315	HCN	Hydrogen cyanide	¹Σ	C_∞v
316	HCN⁺	hydrogen cyanide cation	²Π	C_∞v
317	HNC⁺	hydrogen isocyanide cation
318	HCP⁺	Phosphaethyne cation
319	NNH⁺	Dinitrogen monohydride cation	¹Σ	C_∞v
320	LiNH₂	lithium amide
321	HBNH	Boranimine	¹Σ	C_∞v
322	CNH₂	Aminomethylidyne radical	²B₂	C_2v
323	H₂CN	Dihydrogen cyanide radical	²B₂	C_2v
324	HCNH	methyleneazane	²A^'	CS cis
325	HCNH	methyleneazane	²A^'	CS trans
326	H₂NN	Isodiazene
327	N₂H₂	(E)-diazene	¹A_g	C_2h
328	N₂H₂	(Z)-Diazene	¹A₁	C_2v
329	N₂H₂⁺	trans-diazene cation	²A_G	C_2h
330	CH₂NH	Methanimine	¹A^'	C_s
331	CH₂NH⁺	Methanimine cation
332	CHNH₂	aminomethylene
333	CHNH₂⁺	Aminocarbene cation
334	CH₂PH	Phosphaethene	¹A^'	C_s
335	BH₂NH₂	Boranamine
336	CH₂NH₂⁺	methyleneamine cation	¹A₁	C_2v
337	N₂H₄	Hydrazine	¹A	C₂
338	N₂H₄⁺	hydrazine cation	²A_G	C_2h
339	CH₃NH₂	methyl amine	¹A^'	C_s
340	CH₃NH₂⁺	methyl amine cation	²A^'	C_s
341	SiH₃NH₂	Silane, amino
342	N₂H₅⁺	protonated hydrazine	¹A^'	C_s
343	BH₃PH₃	borane phosphine
344	BH₃NH₃	borane ammonia	¹A₁	C_3v
345	CH₃NH₃	methyl ammonium radical	²A₁	C_3v
346	CH₃PH₃⁺	methyl phosphine, protonated	¹A₁	C_3v
347	NH₃NH₃	Ammonia Dimer	¹A_g	C_2h
348	NH₃NH₃	Ammonia Dimer	¹A^'	C_s
349	N₂H₇⁺	ammonia ammonium dimer
350	LiO	lithium oxide	²Σ	C_∞v
351	LiS	Lithium monosulfide	²Π	C_∞v
352	LiS⁺	Lithium sulfide cation	³Σ	C_∞v
353	NaO	sodium monoxide	²Σ	C_∞v
354	NaS	Sodium sulfide	²Π	C_∞v
355	LiSe	Lithium monoselenide
356	BeO	beryllium oxide	¹Σ	C_∞v
357	BeO⁺	Beryllium monoxide cation	²Π	C_∞v
358	CaO	Calcium monoxide	¹Σ	C_∞v
359	CaS	Calcium sulfide	¹Σ	C_∞v
360	BO	boron monoxide	²Σ	C_∞v
361	ScO	Scandium monoxide	²Σ	C_∞v
362	GaO	Gallium monoxide	²Σ	C_∞v
363	GaS	Gallium monosulfide
364	CO	Carbon monoxide	¹Σ	C_∞v
365	CO^-	carbon monoxide anion	²Π	C_∞v
366	CO⁺	carbon monoxide cation	²Σ	C_∞v
367	SiO	Silicon monoxide	¹Σ	C_∞v
368	SiS	silicon monosulfide	¹Σ	C_∞v
369	TiO	Titanium monoxide	³Δ	C_∞v
370	CSe	Carbon monoselenide	¹Σ	C_∞v
371	GeO	Germanium monoxide	¹Σ	C_∞v
372	GeO⁺	Germanium monoxide cation	²Σ	C_∞v
373	GeS	Germanium monosulfide	¹Σ	C_∞v
374	SiSe	Silicon Monoselenide
375	SiSe⁺	Silicon Monoselenide cation
376	GeSe	Germanium monoselenide
377	NO	Nitric oxide	²Π	C_∞v
378	NO^-	nitric oxide anion	³Σ	C_∞v
379	NO⁺	nitric oxide cation	¹Σ	C_∞v
380	NS	Mononitrogen monosulfide	²Π	C_∞v
381	NS^-	nitrogen sulfide anion	³Σ	C_∞v
382	PO	Phosphorus monoxide	²Π	C_∞v
383	PS	phosphorus sulfide	²Σ	C_∞v
384	VO	Vanadium monoxide	⁴Σ^-
385	NSe	Nitrogen monoselenide	²Π	C_∞v
386	AsS	Arsenic monosulfide	²Π	C_∞v
387	PSe	Phosphorus monoselenide	²Π	C_∞v
388	AsSe	Arsenic monoselenide	²Π	C_∞v
389	O₂	Oxygen diatomic	³Σ_g	D_∞h
390	O₂	Oxygen diatomic	¹Δ_g	D_∞h
391	O₂^-	oxygen diatomic anion	²Π	D_∞h
392	O₂^--	dioxygen dianion
393	O₂⁺	diatomic oxygen cation	²Π_g	D_∞h
394	SO	Sulfur monoxide	³Σ	C_∞v
395	SO	Sulfur monoxide	¹Σ	C_∞v
396	SO⁺	sulfur monoxide cation	²Π	C_∞v
397	S₂	Sulfur diatomic	³Σ_g	D_∞h
398	SeO	Selenium monoxide	³Σ	C_∞v
399	Se₂	Selenium diatomic	³Σ_g	D_∞h
400	LiOH	lithium hydroxide	¹Σ	C_∞v
401	BeOH	beryllium monohydroxide	²A^'	C_s
402	BeOH	beryllium monohydroxide	²Σ	C_∞v
403	HBO	Boron hydride oxide	¹Σ	C_∞v
404	HBS	hydrogen boron sulfide	¹Σ	C_∞v
405	COH	Hydroxymethylidyne
406	COH⁺	Carbon Monoxide, protonated	¹Σ	C_∞v
407	HCO	Formyl radical	²A^'	C_s
408	HCO^-	formyl anion	¹A^'	C_s
409	HCO⁺	Formyl cation	¹Σ	C_∞v
410	HNO	Nitrosyl hydride	¹A^'	C_s
411	HNO⁺	Nitrosyl hydride cation	²A^'	C_s
412	NOH	Hydroxyimidogen	³A^"	C_s
413	NOH⁺	O-protonated nitric oxide	²A^'	C_s
414	HO₂	Hydroperoxy radical	²A^"	C_s
415	HO₂⁺	Hydroperoxy cation	³A^"	C_s
416	HSO⁺	Sulfur Monoxide, S-protonated
417	SOH	Sulfur Hydroxide
418	SOH⁺	Sulfur Monoxide, protonated
419	HS₂	Thiosulfeno radical	²A^"	C_s
420	H₂CO	Formaldehyde	¹A₁	C_2v
421	H₂CO^-	formaldehyde anion	²A^'	C_s
422	H₂CO^-	formaldehyde anion
423	H₂CO⁺	formaldehyde cation	²B₂	C_2v
424	HOCH	hydroxycarbene	¹A^'	CS trans
425	HOCH	hydroxycarbene	¹A^'	CS cis
426	H₂CS	Thioformaldehyde	¹A₁	C_2v
427	H₂CS^-	thioformaldehyde anion
428	H₂CS^-	thioformaldehyde anion
429	H₂CS⁺	thioformaldehyde cation	²B₂	C_2v
430	H₂CSe	Selenoformaldehyde
431	H₂NO	nitroxide	²B₁	C_2v
432	H₂NO	nitroxide	²A^'	C_s
433	H₂O₂	Hydrogen peroxide	¹A	C₂
434	H₂O₂	Hydrogen peroxide	¹A_g	C_2h
435	H₂O₂⁺	Hydrogen peroxide cation	²B_g	C_2h
436	H₂O₂⁺	Hydrogen peroxide cation	²A₁	C_2v
437	H₂OO	water oxide
438	HOSH	hydrogen thioperoxide
439	H₂S₂	Disulfane	¹A	C₂
440	H₂S₂⁺	hydrogen disulfide cation	²B_g	C_2h
441	H₂Se₂	hydrogen diselenide
442	CH₂OH	Hydroxymethyl radical	²A	C₁
443	CH₂OH⁺	hydroxymethyl cation	¹A^'	C_s
444	CH₃O^-	methoxy anion	¹A₁	C_3v
445	CH₃O⁺	Methoxy cation	³A₁	C_3v
446	H₂CSH⁺	Thioformaldehyde, protonated	¹A^'	C_s
447	NH₂OH	hydroxylamine	¹A^'	C_s
448	NH₂OH⁺	Hydroxylamine cation
449	NH₃O	Ammonia Oxide	¹A₁	C_3v
450	H₂POH	Phosphinous acid	¹A₁^'	CS trans
451	H₂POH	Phosphinous acid	¹A₁^'	CS cis
452	H₃PO	Phosphine oxide	¹A₁	C_3v
453	NH₂SH	Thiohydroxylamine
454	NH₂SH	Thiohydroxylamine
455	NH₃S	sulfidoazane
456	CH₃OH	Methyl alcohol	¹A^'	C_s
457	CH₃OH^-	Methyl alcohol anion	²A^'	C_s
458	CH₃OH^-	Methyl alcohol anion	²A^'	CS eclipsed
459	CH₃OH⁺	Methyl alcohol cation	²A^"	C_s
460	CH₃OH⁺	Methyl alcohol cation	²A	C₁
461	CH₃SH	Methanethiol	¹A^'	C_s
462	CH₃SH⁺	Methanethiol cation	²A^"	C_s
463	SiH₃OH	silanol
464	NH₂OH₂⁺	protonated hydroxylamine
465	NH₃OH⁺	N-protonated hydroxylamine
466	H₂OH₂O	water dimer	¹A^'	C_s
467	CH₃SH₂⁺	protonated methylsulfide	¹A^'	C_s
468	H₅O₂⁺	Dihydroxonium ion	¹A	C₂
469	LiF	lithium fluoride	¹Σ	C_∞v
470	LiCl	lithium chloride	¹Σ	C_∞v
471	NaF	sodium fluoride	¹Σ	C_∞v
472	NaF⁺	sodium fluoride cation	²Σ	C_∞v
473	NaCl	Sodium Chloride	¹Σ	C_∞v
474	LiBr	Lithium Bromide	¹Σ	C_∞v
475	LiF⁺	lithium fluoride cation	²Π	C_∞v
476	BeF^-	Beryllium monofluoride anion	¹Σ	C_∞v
477	MgF⁺	magnesium fluoride cation	¹Σ	C_∞v
478	TiCl	Titanium Monochloride	⁴Σ	C_∞v
479	ZnF	Zinc monofluoride	²Σ	C_∞v
480	CaBr	Calcium monobromide
481	BF	Boron monofluoride	¹Σ	C_∞v
482	AlF	Aluminum monofluoride	¹Σ⁺	C_∞v
483	AlCl	Aluminum monochloride	¹Σ	C_∞v
484	ScF	Scandium monofluoride	¹Σ	C_∞v
485	BBr	Boron monobromide	¹Σ	C_∞v
486	GaF	Gallium monofluoride	¹Σ	C_∞v
487	GaF⁺	Gallium monofluoride cation	²Σ	C_∞v
488	AlBr	Aluminum monobromide
489	GaCl	Gallium monochloride	¹Σ_G	C_∞v
490	GaCl⁺	Gallium monochloride cation	²Σ	C_∞v
491	GaBr	Gallium monobromide
492	CF	Fluoromethylidyne	²Π	C_∞v
493	SiF	silicon monofluoride	²Π	C_∞v
494	SiF^-	silicon monofluoride anion	³Σ	C_∞v
495	SiF⁺	silicon monofluoride cation	¹Σ	C_∞v
496	SiCl	Clorosilylidyne	²Π	C_∞v
497	CBr	Carbon monobromide	²Π	C_∞v
498	GeF	Germanium monofluoride	²Π	C_∞v
499	GeF⁺	Germanium monofluoride cation	¹Σ	C_∞v
500	GeCl	Germanium monochloride	²Π	C_∞v
501	GeCl⁺	Germanium monochloride cation
502	SiBr	Silicon monobromide	²Π	C_∞v
503	SiBr⁺	Silicon monobromide cation
504	NCl	nitrogen monochloride	³Σ	C_∞v
505	AsF	Arsenic monofluoride	³Σ	C_∞v
506	AsF	Arsenic monofluoride	¹Δ	C_∞v
507	NBr	nitrogen monobromide	³Σ^-	C_∞v
508	AsCl	Arsenic monochloride	³Σ	C_∞v
509	PBr	Phosphorus monobromide
510	FO	Oxygen monofluoride	²Π	C_∞v
511	ClO	Monochlorine monoxide	²Π	C_∞v
512	ClO⁺	chlorine monoxide cation	³Σ	C_∞v
513	SF	Monosulfur monofluoride	²Π	C_∞v
514	SF⁺	sulfur monofluoride cation	³Σ	C_∞v
515	SCl	sulfur monochloride	²Π	C_∞v
516	SCl⁺	sulfur monochloride cation	³Σ_g	C_∞v
517	BrO	Bromine monoxide	²Π	C_∞v
518	BrO^-	Bromine monoxide anion	¹Σ	C_∞v
519	BrO⁺	Bromine monoxide cation
520	SeF	Selenium monofluoride	²Π	C_∞v
521	SBr	Sulfur monobromide radical
522	SBr⁺	Sulfur monobromide cation
523	SeCl	Selenium monochloride	²Π	C_∞v
524	SeBr	Selenium monobromide
525	BrCl	Bromine monochloride	¹Σ	C_∞v
526	F₂	Fluorine diatomic	¹Σ_g	D_∞h
527	F₂^-	flourine diatomic anion	²Σ_u	D_∞h
528	F₂⁺	flourine diatomic cation	²Π_g	D_∞h
529	ClF	Chlorine monofluoride	¹Σ⁺	C_∞v
530	ClF⁺	clorine monofluoride cation	²Π	C_∞v
531	Cl₂	Chlorine diatomic	¹Σ_g	D_∞h
532	Cl₂^-	chlorine diatomic anion	²Σ_u	D_∞h
533	Cl₂⁺	chlorine diatomic cation	²Π_g	D_∞h
534	BrF	Bromine monofluoride	¹Σ	C_∞v
535	Br₂	Bromine diatomic	¹Σ_g	D_∞h
536	Br₂^-	bromine diatomic anion	²Σ_u	D_∞h
537	Br₂⁺	bromine diatomic cation	²Π_g	D_∞h
538	HCF	Fluoromethylene	¹A^'	C_s
539	HCF	Fluoromethylene	³A^"	C_s
540	HCCl	Chloromethylene	¹A^'	C_s
541	HCCl	Chloromethylene	³A^"	C_s
542	HSiF	fluorosilylene
543	HSiCl	Chlorosilylene
544	HSiBr	monobromosilylene
545	HOF	Hypofluorous acid	¹A^'	C_s
546	HOCl	hypochlorous acid	¹A^'	C_s
547	HOCl⁺	hypochlorous acid cation
548	HOBr	Hypobromous acid	¹A^'	C_s
549	HOBr⁺	Hypobromous acid cation	²A^"	C_s
550	F₂H⁺	Fluorine, protonated	¹A^'	C_s
551	ClFH⁺	Chlorine fluoride, F-protonated
552	FClH⁺	Chlorine fluoride, Cl-protonated
553	Cl₂H⁺	Chlorine, protonated	¹A^'	C_s
554	CH₂Br	bromomethyl radical
555	CH₂F	fluoromethyl radical	²A	C_s
556	CH₂F⁺	fluoromethyl cation
557	CH₂Cl⁺	chloromethyl cation
558	CH₂Cl	chloromethyl radical	²A^'	C_s
559	CH₂Cl	chloromethyl radical	²B₁	C_2v
560	NH₂Cl	chloramine	¹A^'	C_s
561	CH₃F⁺	methyl fluoride cation
562	CD₃F	methylfluoride-d3	¹A₁	C_3v
563	CH₃F	Methyl fluoride	¹A₁	C_3v
564	CD₃Cl	methyl chloride d3	¹A₁	C_3v
565	CH₃Cl	Methyl chloride	¹A₁	C_3v
566	CH₃Cl⁺	Methyl chloride cation
567	SiH₃F	monofluorosilane	¹A₁	C_3v
568	SiH₃Cl	chlorosilane	¹A₁	C₁
569	CH₃Br	methyl bromide	¹A₁	C_3v
570	GeH₃F	monofluorogermane
571	GeH₃Cl	monochlorogermane
572	SiH₃Br	bromosilane	¹A₁	C_3v
573	NH₃Cl⁺	protonated monochloroammonia
574	CH₃ClH⁺	methyl chloride, protonated
575	NH₄Cl	Ammonium chloride
576	LiNe⁺	Lithium Neon cation
577	Ne₂⁺	Neon diatomic cation	²Σ_u	D_∞h
578	Ar₂	Argon diatomic	¹S_g	D_∞h
579	Ar₂⁺	Argon diatomic cation	²Σ_u	D_∞h
580	Li₃	Lithium trimer	²B₂	C_2v
581	Li₃⁺	Lithium trimer cation	¹A₁^'	D_3h
582	C₃	carbon trimer	¹Σ_g	D_∞h
583	C₃	carbon trimer	¹A₁	C_2v
584	SiC₂	Silicon dicarbide
585	C₃H₃	cyclopropenyl radical	²A^'	C_s
586	C₃H₄	cyclopropene	¹A₁	C_2v
587	CH₂CCH₂	allene	¹A₁	D_2d
588	CH₃CCH	propyne	¹A^'	C_3v
589	C₃H₅	Allyl radical	²A₂	C_2v
590	C₃H₅	Allyl radical	²A^"	C_s
591	CH₃CHCH	1-propenyl radical	²A^'	C_s
592	C₃H₆	Cyclopropane	¹A₁^'	D_3h
593	CH₂CHCH₃	Propene	¹A^'	C_s
594	C₃H₇	n-Propyl radical	²A^"	C₁
595	C₃H₇⁺	cyclopropane, protonated
596	CH₃CHCH₃	Isopropyl radical	²A	C₂
597	CH₃CHCH₃⁺	Isopropyl cation	¹A	C₂
598	C₃H₈	Propane	¹A₁	C_2v
599	Si₃H₈	trisilane
600	LiCN	lithium cyanide	¹Σ	C*V LiCN
601	LiCN	lithium cyanide	¹A^'	C_s
602	LiCN	lithium cyanide	¹Σ	C*V LiNC
603	NaCN	Sodium Cyanide	¹Σ	C_∞v
604	NaCN	Sodium Cyanide	¹A	C_s
605	NaCN	Sodium Cyanide	¹Σ	C_∞v
606	ZnCN	Zinc monocyanide	²Σ	C_∞v
607	ZnNC	Zinc isocyanide	²Σ	C_∞v
608	AlCN	Aluminum monocyanide
609	AlNC	Aluminum isocyanide
610	CN₂	3H-Diazirin-3-ylidene	¹A₁	C_2v
611	CNN	Diazocarbene
612	NCN	Cyanoimidogen	³Σ_g	D_∞h
613	NCN	Cyanoimidogen	¹Σ_g	D_∞h
614	N₃	azide radical	²Π_g	D_∞h
615	N₃⁺	azide cation	³Σ_g	D_∞h
616	N₃⁺	azide cation	³Σ	C_∞v
617	HCCN	cyanomethylene	³A^"	C_s
618	HCCN	cyanomethylene	³Σ	C_∞v
619	HCCN	cyanomethylene
620	HN₃	hydrogen azide	¹A^'	C_s
621	HN₃⁺	Hydrazoic acid cation
622	HNCNH	diiminomethane	¹A	C₂
623	NH₂CN	cyanamide	¹A₁	C_2v
624	HNNNH⁺	1,2-Triazadienium
625	NH₂NN⁺	hydrazoic acid, protonated
626	CH₃CN	Acetonitrile	¹A₁	C_3v
627	CH₃CN^-	acetonitrile anion	²E	C_3v
628	CH₃CN^-	acetonitrile anion	²A^'	C_s
629	CHNCH₂	2H-Azirine
630	CHNHCH	1H-Azirine
631	H₂CCNH	Ethenimine
632	H₂CNCH	methyleneaminomethylene
633	HCCNH₂	Ethynamine
634	HCNCH₂⁺	2H-Azirine cation
635	HNCNH₂⁺	diiminomethane, protonated	¹A^'	C_s
636	NCNH₃⁺	Cyanamide, protonated	¹A₁	C_3v
637	NH₂CNH⁺	cyanamide, cn protonated
638	NH₃CN⁺	cyanamide, amine protonated
639	CH₂CHNH	vinylazine	²A^"	CS cis
640	CH₂CHNH	vinylazine	²A^"	CS trans
641	CH₃CHN	methylmethaniminyl radical	²A^'	C_s
642	CH₃CHNH	ethanimine	¹A^'	CS NH down
643	C₂H₅NH⁺	Protonated Aziridine	¹A₁	C_2v
644	C₂H₆N⁺	aziridine, protonated	¹A₁	C_2v
645	NH₂CH₂NH₂	diaminomethane	¹A₁	C_2v
646	CH₃CH₂NH₂	Ethylamine
647	CH₃PHCH₃	dimethylphosphine	¹A^'	C_s
648	(CH₃)₂NH₂⁺	dimethylammonium cation	¹A₁	C_2v
649	CH₃CH₂NH₃⁺	ethylamine, protonated	¹A^'	C_s
650	Li₂O	dilithium oxide	¹Σ_g	D_∞h
651	Li₂S	dilithium sulfide	¹Σ_G	D_∞h
652	Li₂S	dilithium sulfide	¹A₁	C_2v
653	Na₂O	disodium monoxide	¹Σ_g	Linear
654	Na₂O	disodium monoxide	¹A₁	C_2v
655	Na₂S	Sodium sulfide
656	Na₂S	Sodium sulfide
657	LiO₂	Lithium dioxide
658	NaO₂	Sodium superoxide
659	CCO	Dicarbon monoxide	³Σ	C_∞v
660	CCO	Dicarbon monoxide	¹Π	C_∞v
661	NCO	isocyanato radical	²Π	C_∞v
662	N₂O	Nitrous oxide	¹Σ	C_∞v
663	N₂O^-	Nitrous oxide anion	²A^'	C_s
664	NNS	Nitrogen sulfide	¹Σ	C_∞v
665	PPO	Phosphorus oxide phosphide	¹Σ	C_∞v
666	CO₂	Carbon dioxide	¹Σ_g	D_∞h
667	CO₂⁺	Carbon dioxide cation	²Π	C_∞v
668	OCS	Carbonyl sulfide	¹Σ	C_∞v
669	CS₂	Carbon disulfide	¹Σ_g	D_∞h
670	CS₂^-	Carbon disulfide anion	²A₁	C_2v
671	TiO₂	Titanium dioxide	¹A₁	C_2v
672	SiS₂	Silicon disulfide	¹Σ_G	D_∞h
673	GeO₂	Germanium dioxide	¹Σ_g	D_∞h
674	OCSe	Carbonyl selenide	¹Σ	C_∞v
675	SCSe	Carbon sulfide selenide
676	GeS₂	Germanium disulfide	¹Σ_G	D_∞h
677	CSe₂	Carbon diselenide	¹A₁	D_∞h
678	NO₂	Nitrogen dioxide	²A₁	C_2v
679	NO₂⁺	Nitrogen dioxide cation	¹Σ_G	D_∞h
680	NSO	sulfinyl amidogen
681	SNO	Nitrogen oxide sulfide
682	AsO₂	Aresenic dioxide	²A₁	C_2v
683	O₃	Ozone	¹A₁	C_s
684	SO₂	Sulfur dioxide	¹A₁	C_2v
685	SSO	Disulfur monoxide	¹A^'	C_s
686	S₃	Sulfur trimer	¹A₁	C_2v
687	S₃	Sulfur trimer
688	S₃⁺	Sulfur trimer cation	²B₂	C_2v
689	SeO₂	Selenium dioxide	¹A₁	C_2v
690	SeO₂⁺	Selenium dioxide cation	²A₁	C_2v
691	HCCO	ketenyl radical	²Π	C_∞v
692	HCCO	ketenyl radical	²A^"	C_s
693	HCNO	fulminic acid	¹Σ	C_∞v
694	HCNO	fulminic acid	¹A^'	C_s
695	HNCS	Isothiocyanic acid
696	HSCN	thiocyanic acid	¹A^'	C_s
697	HNNO⁺	Nitrous oxide, N-protonated	¹A^'	C_s
698	NNOH⁺	Nitrous Oxide, O-protonated	¹A^'	C_s
699	HCOO	formate neutral radical	²A^'	C_s
700	HOCO	Hydrocarboxyl radical	¹A^'	cis
701	HOCO	Hydrocarboxyl radical	¹A^'	trans
702	O₃H⁺	protonated ozone	¹A^'	C_s
703	O₃H⁺	protonated ozone
704	SO₂H⁺	protonated sulfur dioxide	¹A^'	C_s
705	C₂H₂O	Oxirene	¹A₁	C_2v
706	CH₂CO	Ketene	¹A₁	C_2v
707	CH₂CS	Thioketene
708	Be(OH)₂	Beryllium hydroxide
709	Be(OH)₂	Beryllium hydroxide
710	NH₂NO	Nitrosamide	¹A	C₁
711	H₂COO	Dioxymethyl radical	²A^'	C_s
712	H₂COO⁺	dioxymethyl cation	²A^'	C_s
713	HCOOH	Formic acid	¹A^'	C_s
714	HCOOH	Formic acid
715	H₂O₃	Hydrogen trioxide	¹A	C₂
716	HSSSH	trisulfane	¹A^'	C_s
717	NaOCH₃	Sodium methoxide	¹A₁	C_3v
718	CH₂BOH	hydroxy(methylene)borane	¹A^'	C_s
719	BH₃CO	Borane carbonyl	¹A₁	C_3v
720	CH₃BO	Borane, methyloxo-	¹A₁	C_3v
721	CH₂COH⁺	ketene, protonated
722	CH₂NOH	formaldoxime	¹A^'	C_s
723	CH₃NO	nitrosomethane	¹A^'	C_s
724	CHONH₂	formamide	¹A^'	Planar
725	CHONH₂	formamide	¹A	Non-Planar
726	CNOH₃	1,2-oxaziridine	¹A	C₁
727	HOCHNH	hydroxymethylimine	¹A^'	CS H all up
728	HOCHNH	hydroxymethylimine	¹A^'	CS OH down
729	HOCHNH	hydroxymethylimine	¹A^'	CS CH up
730	CHSNH₂	thioformamide
731	NHCHSH	Methanimidothioic acid
732	C₂H₄O	Ethylene oxide	¹A₁	C_2v
733	C₂H₄O⁺	ethylene oxide cation
734	CH₃CHO	Acetaldehyde	¹A^'	C_s
735	CH₃CHO⁺	acetaldehyde cation
736	H₂COCH₂⁺	Methyl, (methyleneoxoniumyl)-
737	C₂H₄S	Thiirane	¹A₁	C_2v
738	CH₂CHSH	Ethenethiol
739	CH₃CHS	Thioacetaldehyde	¹A^'	C₁
740	H₂CONH₂⁺	protonated formamide	¹A^'	C_s
741	NH₂CHOH⁺	Formamide, O-protonated
742	CH₂(OH)₂	methanediol	¹A	C₂
743	CH₃SSH	Hydrogen methyl disulfide
744	HSCH₂SH	Methanedithiol
745	C₂H₄OH⁺	ethylene oxide, protonated	¹A^'	C_s
746	CH₃CHOH	1-hydroxy-ethyl radical	²A	C₁
747	CH₃CHOH⁺	acetaldehyde, protonated	¹A^'	C_s
748	NH₂CH₂OH	aminomethanol
749	CH₃CH₂OH	Ethanol	¹A^'	C_s
750	CH₃OCH₃	Dimethyl ether	¹A₁	C_2v
751	CH₃CH₂SH	ethanethiol	¹A^'	C_s
752	CH₃CH₂SH	ethanethiol	¹A	C₁
753	CH₃SCH₃	Dimethyl sulfide	¹A₁	C_2v
754	CH₃SCH₃⁺	dimethyl sulfide cation
755	CH₃SeCH₃	dimethylselenide	¹A₁	C_2v
756	CuF₂	Copper difluoride	²Π_g	D_∞h
757	CNF	iso cyanogen fluoride	¹Σ	C_∞v
758	BrCN	Cyanogen bromide	¹Σ	C_∞v
759	FBO	Boron monofluoride monoxide
760	BeF₂	Beryllium fluoride	¹Σ_g	D_∞h
761	MgF₂	Magnesium fluoride	¹Σ_g	D_∞h
762	BeCl₂	Beryllium chloride	¹Σ_g	D_∞h
763	CaCl₂	Calcium Chloride	¹Σ_g	D_∞h
764	BeBr₂	Beryllium bromide
765	CaBr₂	Calcium dibromide
766	FCO	Carbonyl fluoride	²A^'	C_s
767	FCO⁺	Carbonyl fluoride cation	¹Σ	C_∞v
768	ClCO	carbonyl monochloride	²A^'	C_s
769	BF₂	Boron difluoride radical	²A₁	C_2v
770	FNO	Nitrosyl fluoride	¹A^'	C_s
771	ClNO	Nitrosyl chloride	¹A^'	C_s
772	FNS	Thionitrosyl fluoride	¹A^'	C_s
773	FSN	Thiazyl fluoride	¹A^'	C_s
774	OPCl	Phosphorus oxychloride
775	CF₂	Difluoromethylene	¹A₁	D_∞h
776	CFCl	chlorofluoromethylene	¹A^'	C_s
777	SiF₂	Silicon difluoride	¹A₁	C_2v
778	SiF₂⁺	Silicon difluoride cation	²A₁	C_2v
779	GeF₂	Germanium difluoride	¹A₁	C_2v
780	GeCl₂	Germanium dichloride	¹A₁	C_2v
781	CBr₂	dibromomethylene	¹A₁	C_2v
782	CBr₂	dibromomethylene	³B₁	C_2v
783	FOO⁺	Fluorine dioxide cation
784	OClO	Chlorine dioxide	²B₁	D_∞h
785	OClO^-	Chlorine dioxide anion	¹A^'	C_s
786	ClSO	Sulfur chloride oxide	²A^"	C_s
787	BrOO	Bromine dioxide
788	OBrO	Bromine dioxide radical	²B₁	C_2v
789	PF₂	Phosphorus difluoride
790	PF₂⁺	Phosphorus difluoride cation
791	FClO	chlorosyl fluoride	¹A^'	C_s
792	ClOF	Chlorine hypofluorite	¹A^'	C_s
793	SF₂	sulfur difluoride	¹A₁	C_2v
794	SF₂^-	sulfur difluoride anion	²A^'	C_s
795	SF₂^-	sulfur difluoride anion	²Π	D_∞h
796	SCl₂	Sulfur dichloride	¹A₁	C_2v
797	SeF₂	Selenium difluoride
798	SeCl₂	Selenium Dichloride
799	SBr₂	Sulfur dibromide
800	SeBr₂	Selenium dibromide
801	F₃^-	trifluoride anion	¹Σ_g	D_∞h
802	Cl₃^-	trichloride anion	¹Σ_g	D_∞h
803	Br₃^-	tribromide anion
804	SFCl	Sulfur chloride fluoride
805	HCCF	Fluoroacetylene	¹Σ	C_∞v
806	HCCCl	Chloroacetylene	¹Σ	C_∞v
807	HCCBr	bromoacetylene	¹Σ	C_∞v
808	HFCO⁺	formyl fluoride cation	²A^'	C_s
809	CHCl₂	dichloromethyl radical	²B₁	C_2v
810	CHCl₂	dichloromethyl radical	²A^'	C_s
811	CHF₂	difluoromethyl radical	²A	C_s
812	CHF₂⁺	difluoromethyl cation
813	CHFCl	Chlorofluoromethyl radical
814	CHFCl⁺	Chlorofluoromethyl cation
815	CHCl₂⁺	dichloromethyl cation
816	CHBr₂	dibromomethyl radical
817	NHF₂	difluoramine
818	NHCl₂	dichloroamine
819	CH₂F₂	Methane, difluoro-	¹A₁	C_2v
820	SiH₂F₂	difluorosilane
821	CH₂Cl₂	Methylene chloride	¹A₁	C_2v
822	CH₂BrF	Methane, bromofluoro-	¹A^'	C_s
823	CH₂BrCl	Methane, bromochloro-	¹A^'	C_s
824	CH₂Br₂	dibromomethane	¹A₁	C_2v
825	SiH₂Cl₂	dichlorosilane	¹A₁	C_2v
826	CH₃MgBr	Methyl Magnesium Bromide
827	CH₂CHF	Ethene, fluoro-	¹A^'	C_s
828	CH₂FOH	fluoromethanol
829	CH₂CH₂Cl	2-chloroethyl radical	²A^'	C_s
830	CHClCH₃	1-chloroethyl radical	²A	C₁
831	C₂H₅Br	Ethyl bromide	¹A^'	C_s
832	KrF₂	Krypton difluoride	¹Σ_G	D_∞h
833	B₄H₁₀	Tetraborane(10)	¹A₁	C_2v
834	C₄	Carbon tetramer	³Σ_g	D_∞h
835	C₄	Carbon tetramer
836	C₄H₂	Diacetylene	¹Σ_g	D_∞h
837	C₄H₂⁺	diacetlyene cation	²Π_g	D_∞h
838	C₄H₄	cyclobutadiene	¹A_g	D_2h
839	C₄H₄	Tetrahedrane
840	C₄H₆	1-Methylcyclopropene	¹A	C₁
841	CH₂CHCHCH₂	1,3-Butadiene	¹A	C₂
842	CHCCH₂CH₃	1-Butyne	¹A^'	C_s
843	CH₃CHCHCH₂	methylallyl radical	²A^"	C_s
844	C₄H₈	methylcyclopropane	¹A^'	C_s
845	CH₂CHCH₂CH₃	1-Butene	¹A	C₁
846	CH₃CH₂CH₂CH₃	Butane	¹A_g	Anti
847	CH₃CH₂CH₂CH₃	Butane	¹A	Gauche
848	Li₃N	trilithium nitride	¹A^'	D_3h
849	Li₃N	trilithium nitride	¹A₁	C_3v
850	C₂N₂	Cyanogen	¹Σ_g	D_∞h
851	As₄	Arsenic tetramer	¹A₁	T_d
852	HCCCN⁺	Cyanoacetylene cation	²Π	C_∞v
853	H₂CNCN	cyanamide, methylene
854	HNCCNH	Ethenediimine
855	C₃H₃N⁺	acrylonitrile cation	²A^"	C_s
856	CH₃N₃	methyl azide	¹A^'	C_s
857	NH₂CCNH₂	Diaminoacetylene	¹A	C₂
858	NH₂CH₂CN	Aminoacetonitrile	¹A^'	C_s
859	CH₃NHN₂⁺	methyl azide, protonated	¹A	C₁
860	C₂H₅CN	ethyl cyanide	¹A^'	C_s
861	C₄H₆	Bicyclo[1.1.0]butane	¹A₁	C_2v
862	CH₃NNCH₃	(Z)-1,2-Dimethyldiazene	¹A₁	C_2v
863	H₂NCHCHNH₂	diaminoethylene
864	CH₇N₃	triaminomethane
865	C₄H₈	cyclobutane	¹A₁	D_2d
866	NH₂CH₂CH₂CH₃	1-Propanamine	¹A^'	C_s
867	P(CH₃)₃	trimethylphosphine	¹A₁	C_3v
868	N(SiH₃)₃	trisilylamine
869	(CH₃)₃NH⁺	protonated trimethyl amine
870	C₃H₇NH₃⁺	n-propylamine, protonated	¹A^'	C_s
871	C₃O	Tricarbon monoxide	¹Σ	C_∞v
872	ONNO	NO dimer	¹A_g	trans C2H
873	ONNO	NO dimer	¹A₁	cis C2V
874	S₂N₂	Disulfur dinitride	¹A_G	D_2h
875	CS₃^--	Carbonotrithioate
876	NO₃^-	nitrate anion	¹A₁^'	D_3h
877	NO₃⁺	nitrogen trioxide cation	¹A₁	C_2v
878	SO₃	Sulfur trioxide	¹A₁^'	D_3h
879	SO₃^--	Sulfate dianion
880	SeO₃	selenium trioxide	¹A₁^'	D_3h
881	S₄	Sulfur tetramer
882	S₄	Sulfur tetramer
883	S₄	Sulfur tetramer
884	HNO₃	Nitric acid	¹A^'	C_s
885	NH₂NO₂	nitramide	¹A^'	C_s
886	C₃H₂O	Propadienal
887	C₃H₂O	Propadienal
888	C₂H₂O₂	Ethanedial	¹A_g	C_2h
889	H₂SO₃	Sulfurous acid	¹A^'	C_s
890	C₂H₃NO	Nitrosoethylene
891	CH₃NCO	methylisocyante
892	HOCH₂CN	cyanomethanol
893	CH₃NO₂	Methane, nitro-	¹A^'	C_s
894	NH₂COOH	Carbamic acid	¹A^'	C_s
895	NH₂COOH	Carbamic acid	¹A	C₁
896	H₃AlO₃	Aluminum hydroxide
897	CH₂CHCHO	Acrolein	¹A^'	C_s
898	CH₂CHCHO	Acrolein
899	NH₂CONH₂	Urea	¹A	C₂
900	NH₂CONH₂	Urea	¹A^'	C_s
901	NH₂CONH₂	Urea	¹A₁	C_2v
902	NH₂COOH₂⁺	Carbamic acid, O-protonated	¹A	C₁
903	NH₃COOH⁺	protonated Carbamic acid	¹A^'	C_s
904	CH₃COCH₂	Acetonyl radical	²A^"	C_s
905	CH₂C(OH)NH₂	1-amino vinyl alchohol
906	CH₃C(OH)=NH	Ethaninidic acid
907	CH₃CHNOH	Acetaldoxime	¹A^'	CS cis
908	HCONHCH₃	N-methylformamide	¹A^'	CS cis
909	HCONHCH₃	N-methylformamide	¹A^'	CS trans
910	CH₃CSNH₂	Ethanethioamide
911	CH₅N₂O⁺	urea, N-protonated	¹A^'	C_s
912	H₂NCOHNH₂⁺	urea, protonated	¹A^'	C_s
913	CH₃NNCH₃	(E)-1,2-Dimethyldiazene	¹A_G	C_2h
914	C₃H₅OH	Cyclopropanol	¹A	C₁
915	C₃H₆O	2-Propen-1-ol	¹A	C₁
916	C₃H₆O	Acetone enol	¹A^'	C_s
917	C₃H₆O	Oxetane	¹A₁	C_2v
918	C₃H₆O	Oxetane	¹A^'	C_s
919	CH₃CH₂CHO	Propanal	¹A^'	C_s
920	CH₃COCH₃	Acetone	¹A₁	C_2v
921	CH₃COCH₃^-	acetone anion	²A^'	C_s
922	CH₃CSCH₃	Thioacetone	¹A₁	C_2v
923	CH₃SOCH₃	Dimethyl sulfoxide	¹A^'	C_s
924	HOCH₂CH₂NH₂	monoethanolamine	¹A	C1 OH in
925	C₃H₇OH	1-Propanol
926	CH₃OC₂H₅	Ethane, methoxy-	¹A^'	C_s
927	Li₂F₂	Lithium fluoride dimer
928	FNO₂	Nitryl fluoride	¹A₁	C_2v
929	FONO	Nitrosyl hypofluorite	¹A^'	CS cis
930	ClONO	chlorine nitrite	¹A^'	CS cis
931	CF₂O	Carbonic difluoride	¹A₁	C_2v
932	CF₂O⁺	Carbonic difluoride cation
933	Cl₂CS	Thiophosgene	¹A₁	C_2v
934	BF₃	Borane, trifluoro-	¹A^'	D_3h
935	BF₃⁺	boron trifluoride cation	²B₂	C_2v
936	BF₃⁺	boron trifluoride cation
937	AlF₃	Aluminum trifluoride	¹A₁^'	D_3h
938	BClF₂	Chlorodifluoroborane
939	ScF₃	Scandium trifluoride	¹A₁^'	D_3h
940	BCl₃	Borane, trichloro-	¹A₁^'	D_3h
941	BCl₃⁺	Boron Trichloride cation
942	GaF₃	Gallium trifluoride	¹A₁^'	D_3h
943	GaCl₃	Gallium trichloride	¹A₁^'	D_3h
944	BBr₃	Boron tribromide	¹A₁^'	D_3h
945	CF₃^-	Trifluoromethyl anion	¹A₁	C_3v
946	CF₃⁺	Trifluoromethyl cation	¹A₁^'	D_3h
947	CF₂Cl	difluorochloromethyl radical
948	SiF₃	Silicon trifluoride radical	²A₁	C_3v
949	SiF₃⁺	Silicon trifluoride cation	¹A₁^'	D_3h
950	CFCl₂	dichlorofluoromethyl radical
951	CBr₃	tribromomethyl radical
952	ClO₂F	Chloryl fluoride	¹A^'	C_s
953	F₂SO	Thionyl Fluoride	¹A^'	C_s
954	ClOOCl	Dichlorine dioxide	¹A	C₂
955	SSCl₂	Thiothionyl chloride
956	NF₃	Nitrogen trifluoride	¹A₁	C_3v
957	NCl₃	nitrogen trichloride	¹A₁	C_3v
958	AsCl₃	Arsenous trichloride	¹A₁	C_3v
959	NBr₃	Nitrogen Tribromide	¹A₁	C_3v
960	PBr₃	Phosphorus tribromide	¹A₁	C_3v
961	SF₃	Sulfur trifluoride	²A^'	C_s
962	ClF₃	Chlorine trifluoride	¹A₁^'	D_3h
963	ClF₃	Chlorine trifluoride	¹A₁	C_2v
964	HClO₃	Chloric Acid	¹A^'	C_s
965	HClO₃	Chloric Acid	¹A	C₁
966	CHF₃	Methane, trifluoro-	¹A₁	C_3v
967	SiHF₃	trifluorosilane
968	CDCl₃	trichloromethane-d	¹A₁	C_3v
969	CHCl₃	Chloroform	¹A₁	C_3v
970	CHBrF₂	Methane, bromodifluoro-	¹A^'	C_s
971	CHFClBr	fluorochlorobromomethane	¹A	C₁
972	CHBrCl₂	Methane, bromodichloro-	¹A^'	C_s
973	CHBr₂F	dibromofluoromethane
974	NF₃H⁺	protonated nitrogen trifluoride	¹A₁	C_3v
975	AsF₃H⁺	Arsenic trifluoride, protonated
976	C₂H₂ClF	1-chloro-1-fluoroethylene	¹A^'	C_s
977	CHFCHCl	(E)-1-chloro-2-fluoroethene	¹A^'	C_s
978	CHFCHClz	(Z)-1-Chloro-2-fluoroethene	¹A^'	C_s
979	CHBrCHBr	Ethene, 1,2-dibromo-, (E)-
980	CHBrCHBr	Ethene, 1,2-dibromo-, (Z)-
981	C₂H₄F₂	1,2-difluoroethane	¹A_g	C2H anti
982	C₂H₄F₂	1,2-difluoroethane	¹A	C2 gauche
983	CH₃CHF₂	Ethane, 1,1-difluoro-	¹A^'	C_s
984	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A^'	C_s
985	CH₂FCH₂Cl	Ethane, 1-chloro-2-fluoro-	¹A	C₁
986	CH₂ClCH₂Cl	Ethane, 1,2-dichloro-	¹A	C₂
987	CH₂BrCH₂Cl	1-bromo-2-chloroethane
988	CH₂BrCH₂Cl	1-bromo-2-chloroethane
989	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A_g	C_2h
990	CH₂BrCH₂Br	Ethane, 1,2-dibromo-	¹A	C₂
991	CH₂CHCH₂F	Allyl Fluoride
992	CH₂CHCH₂F	Allyl Fluoride
993	CH₃CHCHF	trans-1-Fluoro-1-propene
994	CH₂FCH₂OH	2-fluoroethanol
995	CH₂ClCH₂OH	2-Chloroethanol	¹A^'	C_s
996	CH₂ClCH₂OH₂⁺	2-chloroethanol, protonated	¹A	C₁
997	CH₂FCH₂CH₃	1-Fluoropropane	¹A^'	C_s
998	CH₂FCH₂CH₃	1-Fluoropropane
999	CH₃CHFCH₃	2-Fluoropropane	¹A^'	C_s
1000	CH₃CHClCH₃	Propane, 2-chloro-	¹A^'	C_s
1001	B₅H₉	pentaborane9
1002	C₅H₄	pentatetraene
1003	C₅H₅	cyclopentadienyl radical	²B₁	C_2v
1004	C₅H₆	Propellane	¹A₁	D_3h
1005	C₅H₈	Bicyclo[1.1.1]pentane
1006	C₅H₈	Ethenylcyclopropane	¹A^'	C_s
1007	CH₂N₄	1H-Tetrazole	¹A^'	C_s
1008	C₃H₃N₂	imidazolyl radical	²B₁	C_2v
1009	C₃H₃N₂^-	imidizolyl anion	¹A₁	C_2v
1010	C₄H₄N	pyrrolide radical	²A₂	C_2v
1011	C₄H₄N^-	pyrrolide anion	¹A₁	C_2v
1012	C₃H₄N₂	1H-Imidazole	¹A^'	C_s
1013	C₃H₄N₂	2H-Imidazole	¹A₁	C_2v
1014	C₃H₄N₂	4H-Imidazole	¹A^'	C_s
1015	C₄H₅N	Pyrrole	¹A₁	C_2v
1016	C₄H₆N⁺	pyrrole, alpha-protonated	¹A^'	C_s
1017	C₄H₆N⁺	pyrrole, beta-protonated	¹A^'	C_s
1018	C₄H₆N⁺	pyrrole, protonated	¹A₁	C_2v
1019	CH₃CH(CH₃)CN	Propanenitrile, 2-methyl-	¹A^'	C_s
1020	CH₃CH₂CH₂CN	Butanenitrile	¹A^'	C_s
1021	NH(C₂H₅)₂	diethylamine	¹A^'	C_s
1022	NC₄H₁₂⁺	tetramethyl ammonium cation	¹A₁	T_d
1023	C₃O₂	Carbon suboxide	¹Σ_G	D_∞h
1024	B₂O₃	diboron trioxide
1025	B₂O₃	diboron trioxide
1026	MgCO₃	Magnesium Carbonate	¹A₁	C_2v
1027	BeCO₃	Beryllium Carbonate	¹A₁	C_2v
1028	ONONO	Nitrosyl nitrite	¹A₁	C_2v
1029	HOONO₂	peroxy nitric acid	¹A	C₁
1030	HSO₄^-	bisulfate anion	¹A^'	C_s
1031	C₃H₂O₂	Propiolic acid	¹A^'	C_s
1032	CHOOCHO	diformyl ether
1033	H₂SeO₄	Selenic acid	¹A	C₂
1034	C₃H₃NO	Isoxazole	¹A^'	C_s
1035	C₃H₃NO	Oxazole	¹A^'	C_s
1036	C₃H₃NS	Thiazole
1037	C₄H₄O	Furan	¹A₁	C₂
1038	CH₃COCCH	3-butyn-2-one	¹A^'	C_s
1039	C₄H₄Se	selenophene
1040	C₃H₄O₂	Methyl glyoxal	¹A^'	C_s
1041	HOCHCCHOH	allenediol	¹A	C₂
1042	C₂H₄O₃	1,2,3-trioxolane	¹A^'	C_s
1043	CH₃OCH₂CN	Methoxyacetonitrile	¹A^'	C_s
1044	CH₃OCH₂CN	Methoxyacetonitrile	¹A	C₁
1045	CH₃SO₂NH₂	methanesulfonamide	¹A^'	C_s
1046	CH₂CHOCHCH₂	Vinyl ether	¹A	C₁
1047	CH₂CHSCHCH₂	Divinyl sulfide
1048	CH₃CH₂COOH	Propanoic Acid	¹A^'	C_s
1049	HCOOC₂H₅	Ethyl formate	¹A^'	C_s
1050	C₂H₆O₂S	Dimethyl sulfone	¹A₁	C_2v
1051	C₄H₈S	Thiophene, tetrahydro-	¹A	C₁
1052	C₄H₁₀O	1-Butanol	¹A^'	C_s
1053	C₄H₁₀O	Ethoxy ethane	¹A₁	C_2v
1054	C₄H₁₀O	Methyl propyl ether	¹A	C₁
1055	C(CH₃)₃SH	2-Propanethiol, 2-methyl-	¹A^'	C_s
1056	C₄H₉SH	1-Butanethiol
1057	BrONO₂	Bromine nitrate	¹A^'	C_s
1058	CF₃Cl	Methane, chlorotrifluoro-	¹A₁	C_3v
1059	CF₂Cl₂	difluorodichloromethane	¹A₁	C_2v
1060	TiF₄	Titanium tetrafluoride	¹A₁	T_d
1061	CF₃Br	Bromotrifluoromethane	¹A₁	C_3v
1062	GeF₄	Germanium tetrafluoride	¹A₁	T_d
1063	CCl₄	Carbon tetrachloride	¹A₁	T_d
1064	CBrCl₂F	bromodichlorofluoromethane
1065	CBr₂ClF	dibromochlorofluoromethane
1066	CBr₂Cl₂	dibromodichloromethane	¹A₁	C_2v
1067	CFBr₃	fluorotribromomethane	¹A₁	C_3v
1068	CBr₃Cl	tribromochloromethane	¹A₁	C_3v
1069	CBr₄	Carbon tetrabromide	¹A₁	T_d
1070	SiBr₄	Silicon tetrabromide	¹A₁	T_d
1071	GeBr₄	Germanium tetrabromide
1072	ClOF₃	Chlorine trifluoride oxide	¹A^'	C_s
1073	SF₄	Sulfur tetrafluoride	¹A₁	C_2v
1074	SeF₄	Selenium tetrafluoride
1075	SCl₄	Sulfur tetrachloride
1076	CF₃OH	trifluoromethanol	¹A^'	C_s
1077	CH₂ClCCCl	1,3-dichloropropyne
1078	CHCl₂CCH	3,3-dichloropropyne
1079	CHCl₂CHO	dichloroacetaldehyde
1080	PF₃CH₂	phosphorane, trifluoromethylene-	¹A^'	C_s
1081	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A	C₁
1082	CHF₂CH₂F	Ethane, 1,1,2-trifluoro	¹A^'	C_s
1083	SiCl₃CH₃	methyltrichlorosilane	¹A₁	C_3v
1084	CH₃CBr₃	1,1,1-tribromoethane	¹A₁	C_3v
1085	SiH₃CCl₃	(trichloromethyl)silane	¹A₁	C_3v
1086	CH₂CClCHCH₂	1,3-Butadiene, 2-chloro-
1087	CH₂FCH₂CH₂F	1,3-difluoropropane
1088	CH₃CCl₂CH₃	Propane, 2,2-dichloro-	¹A₁	C_2v
1089	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A^'	C_s
1090	CH₂ClCHCHCH₃	2-Butene, 1-chloro-	¹A	C₁
1091	C₂H₂N₂O	Furazan
1092	CF₃PH₂	phosphine, (trifluoromethyl)-	¹A^'	C_s
1093	NH₃BF₃	Amminetrifluoroboron	¹A₁	C_3v
1094	C₆H₂	hexatriyne	¹Σ_g	D_∞h
1095	C₆H₅^-	phenyl anion	¹A₁	C_2v
1096	C₆H₆	Prismane
1097	C₆H₆	1,2,4,5-Hexatetraene	¹A_g	C_2h
1098	C₆H₆	Benzene	¹A_1g	D_6h
1099	C₆H₆	Benzvalene	¹A₁	C_2v
1100	C₆H₆	Dewar Benzene
1101	C₆H₆	Hexa-1,5-diene-3-yne	¹A_g	C_2h
1102	C₆H₆	Trimethylenecycopropane	¹A^'	D_3h
1103	C₆H₇⁺	benzene, protonated	¹A₁	C_2v
1104	C₆H₈	(E)-hexa-2,3,4-triene	¹A^'	C_2h
1105	C₆H₁₀	1,5-Hexadiene	¹A_g	C₂
1106	C₆H₁₀	3-Hexyne	¹A₁	C_2v
1107	C₆H₁₂	(1r,3r)-1,3-dimethylcyclobutane	¹A^'	C_s
1108	C₆H₁₂	(E)-hex-3-ene	¹A_G	C_i
1109	C₆H₁₂	(Z)-hex-3-ene	¹A	C₂
1110	C₆H₁₂	2,3-dimethylbut-1-ene	¹A^'	C₂
1111	C₆H₁₂	hex-1-ene	¹A^'	C_s
1112	N₃P₃	1,3,5,2,4,6-Triazatriphosphorine
1113	C₄H₂N₂	Fumaronitrile	¹A_g	C_2h
1114	C₅H₆N⁺	Pyridinium	¹A₁	C_2v
1115	Na₂CO₃	Sodium Carbonate	¹A₁	C_2v
1116	MgSO₄	Magnesium Sulfate	¹A₁	C_2v
1117	N₂O₄	Dinitrogen tetroxide	¹A_g	D_2d
1118	C₃H₂O₃	vinylene carbonate
1119	C₂H₂O₄	Oxalic Acid	¹A_g	C_2h
1120	C₂H₄N₂S₂	Ethanedithioamide	¹A_G	C_2h
1121	C₂H₄CO₃	Ethylene carbonate	¹A₁	C_2v
1122	C₂H₄CO₃	Ethylene carbonate	¹A	C₂
1123	C₂H₄O₄	Formic acid dimer	¹A_G	C_2h
1124	C₂H₅NO₃	Nitric acid, ethyl ester	¹A^'	C₁
1125	C₅H₆O	2H-Pyran
1126	C₅H₆O	Pentadienal
1127	C₄H₆O₂	γ–Butyrolactone	¹A	C₁
1128	C₃H₆O₃	1,3,5-Trioxane	¹A₁	C₁
1129	C₃H₆S₃	1,3,5-Trithiane	¹A₁	C_3v
1130	C₄H₇NO	Ethoxyacetonitrile	¹A^'	C_s
1131	C₅H₈O	Cyclopentanone	¹A	C₂
1132	C₅H₈O	Methyl cyclopropyl ketone	¹A^'	C_s
1133	NH(CH₃)CONH(CH₃)	Urea, N,N'-dimethyl-	¹A	C₂
1134	C₄H₈O₂	Ethyl acetate	¹A^'	C_s
1135	C₅H₁₀O	2-methylbutyraldehyde	¹A	C₁
1136	C₅H₁₀O	3-Pentanone	¹A₁	C_2v
1137	C₄F₂	difluorobutadiyne
1138	ClCOClCO	Oxalyl chloride	¹A_G	C_2h
1139	B₂Cl₄	Diboron tetrachloride	¹A₁	D₂
1140	C₂ClF₃	Ethene, chlorotrifluoro-
1141	CF₂CCl₂	difluorodichloroethylene	¹A₁	C_2v
1142	CFClCClF	trans-1,2-dichloro-1,2-difluoroethylene	¹A_G	C_2h
1143	CFClCFCl	cis-1,2-dichloro-1,2-difluoroethylene	¹A₁	C_2v
1144	C₂Br₄	tetrabromoethene
1145	CF₃OF	Trifluoromethylhypofluorite	¹A^'	C_s
1146	SiF₅^-	silicon pentafluoride anion
1147	SOF₄	Sulfur tetrafluoride oxide	¹A₁	C_2v
1148	PF₅	Phosphorus pentafluoride	¹A₁^'	D_3h
1149	SF₅	Sulfur pentafluoride	²A₁	C_4v
1150	SF₅⁺	pentafluoro sulfur cation	¹A₁^'	D_3h
1151	CHFClCHClF	ethane, 1,2-dichloro-1,2-difluoro-	¹A_G	C_i
1152	CHF₂CHF₂	1,1,2,2-tetrafluoroethane	¹A_G	C_2h
1153	CHFClCHFCl	1,2-dichloro-1,2-difluoroethane RR	¹A	C₂
1154	CH₂ClCCl₃	1,1,1,2-tetrachloroethane
1155	CHCl₂CHCl₂	Ethane, 1,1,2,2-tetrachloro-
1156	CH₂BrCBr₃	1,1,1,2-tetrabromo ethane
1157	CHCl₂CHF₂	1,1-dichloro-2,2-difluoroethane	¹A^'	C_s
1158	CF₃COOH	trifluoroacetic acid	¹A^'	C_s
1159	C₄H₃ClO	Furan, 2-chloro	¹A^'	C_s
1160	C₄H₃ClO	Furan,3-chloro	¹A^'	C_s
1161	C₄H₈O₂	Butanoic acid	¹A	C₁
1162	C₇H₇	cycloheptatrienyl radical	²A₂	C_2v
1163	C₇H₇⁺	cycloheptatrienyl cation	¹A₁^'	D_7h
1164	C₇H₁₄	cycloheptane	¹A	C₂
1165	CH(CN)₃	tricyanomethane
1166	HN=C=C(CN)₂	Dicyanoketenimine
1167	C₆H₁₅N	triethylamine	¹A	C₃
1168	C₅H₄O₂	furfural	¹A^'	OCCO cis
1169	C₅H₄O₂	furfural	¹A^'	OCCO trans
1170	C₆H₆O	2,5-Cyclohexadienone	¹A₁	C_2v
1171	HO₂CCHNH₂CH₂OH	Serine	¹A	C₁
1172	C₅H₈O₂	Acetylacetone	¹A	C₂
1173	C₇H₁₀	Norbornene
1174	C₆H₁₂O	Oxepane
1175	C₃H₇OC₃H₇	di-n-propyl ether	¹A	C₂
1176	F₂CCCF₂	tetrafluoroallene
1177	CF₃COO^-	trifluoro acetate anion	¹A^'	C_s
1178	CF₃COF	trifluoroacetyl fluoride	¹A^'	C_s
1179	PF₆	Hexafluorophosphate neutral	²B₂	C_2v
1180	PF₆^-	Hexafluorophosphate ion	¹A_1G	O_h
1181	SF₆	Sulfur Hexafluoride	¹A_1G	O_h
1182	SeF₆	Selenium hexafluoride	¹A_1G	O_h
1183	SF₅Cl	sulfur chloropentafluoride	¹A₁	C_4v
1184	CF₃CHF₂	pentafluoroethane	¹A^'	C_s
1185	C₈H₆	Calicene	¹A₁	C_2v
1186	C₈H₆	benzocyclobutadiene	¹A₁	C_2v
1187	C₈H₆	Pentalene	¹A_g	C_2h
1188	C₈H₈	cubane	¹A_1G	O_h
1189	C₈H₁₄	Bicyclo[2.2.2]octane	¹A₁^'	D_3h
1190	C₈H₁₆	cyclooctane	¹A₁	D_4d
1191	(CH₃)₃CC(CH₃)₃	tetramethylbutane	¹A₁	D_3d
1192	S₄N₄	Tetrasulfur tetranitride
1193	C₆H₅CHO	benzaldehyde	¹A^'	C_s
1194	C₅H₉NO₂	Proline	¹A	C₁
1195	C₄F₄	tetrafluorcyclobutadiene	¹A_1G	D_4h
1196	C₄F₄	tetrafluorcyclobutadiene	¹A_G	C_2h
1197	Al₂Cl₆	Aluminum, di-μ-chlorotetrachlorodi-	¹A_G	D_2h
1198	C₂Cl₆	hexachloroethane	¹A_1g	D_3d
1199	C₆H₄F₂	1,4-difluorobenzene	¹A_g	D_2h
1200	C₆H₄Cl₂	1,2-dichlorobenzene	¹A₁	C_2v
1201	C₆H₄Cl₂	1,3-dichlorobenzene	¹A₁	C_2v
1202	C₆H₄Cl₂	1,4-dichlorobenzene
1203	C₆H₅NO	nitrosobenzene	¹A^'	C_s
1204	C₉H₈	Indene	¹A^'	C_s
1205	C₉H₈	spiro[4.4]nona-1,3,6,8-tetraene	¹A₁	D_2d
1206	C₉H₁₂	n-propyl benzene	¹A^'	C_s
1207	C₉H₂₀	Nonane	¹A₁	C_2v
1208	C(CN)₄	tetracyanomethane	¹A₁	T_d
1209	C₃H₃N₃O₃	cyanuric acid	¹A₁^'	D_3h
1210	CH₃COC₆H₅	acetophenone	¹A	C₁
1211	C₃F₆	hexafluoropropene
1212	C₆H₃F₃	Benzene trifluoride 123	¹A₁	C_2v
1213	C₈H₁₈O	1-Octanol
1214	C₁₀H₈	Azulene	¹A₁	C_2v
1215	C₁₀H₈	naphthalene	¹A_g	D_2h
1216	C₁₀H₁₀	bullvalene
1217	C₁₀H₂₂	Decane	¹A_G	C_2h
1218	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)
1219	C₁₂H₈	biphenylene	¹A_g	D_2h
1220	C₁₂H₁₀	Heptalene	¹A	C₂
1221	C₆H₁₂O₆	Inositol	¹A_1G	D_3d
1222	S₂F₁₀	disulphur decafluoride
1223	C₁₃H₁₀	Fluorene
1224	C₁₄H₁₄	Bibenzyl	¹A	C₂
1225	C₁₂H₁₀N₂	azobenzene	¹A_G	C_2h
1226	C₆H₅COC₆H₅	benzophenone	¹A	C₂
1227	C₁₉H₁₆	Triphenylmethane	¹A	C₃
1228	C₂₄H₁₂	Coronene	¹A_1G	D_6h
1229	C₆₀	Buckminsterfullerene	¹A_G	I_h

Species NOT done yet

count	Species	Name	file name
1	D	Deuterium atom	d
2	D^-	Deuterium atom anion	d-
3	D⁺	Deuterium atom cation	d+
4	H⁺	Hydrogen atom cation	h+
5	D₂	Deuterium diatomic	d2
6	HD	Deuterium hydride	hd
7	H₃⁺	hydrogen trimer cation	h3+
8	He^-	Helium atom anion	he-
9	HeH	Helium hydride	heh
10	Na^-	Sodium atom anion	na-
11	K	Potassium atom	k
12	K^-	Potassium atom anion	k-
13	K⁺	Potassium atom cation	k+
14	Cu	Copper atom	cu
15	Cu^-	Copper atom anion	cu-
16	Cu⁺	Copper atom cation	cu+
17	LiH^-	lithium hydride anion	lih-
18	NaH^-	sodium hydride anion	nah-
19	KH	Potassium hydride	kh
20	KH⁺	Potassium hydrogen cation	kh+
21	CuH	Copper monohydride	cuh
22	Be^-	Beryllium atom anion	be-
23	Mg^-	Magnesium atom anion	mg-
24	Ca	Calcium atom	ca
25	Ca^-	Calcium atom anion	ca-
26	Ca⁺	Calcium atom cation	ca+
27	Zn	Zinc atom	zn
28	Zn^-	Zinc atom anion	zn-
29	Zn⁺	Zinc atom cation	zn+
30	BeH^-	berylium monohydride anion	beh-
31	BeH⁺	beryllium monohydride cation	beh+
32	MgH^-	magnesium monohydride anion	mgh-
33	MgH⁺	magnesium monohydride cation	mgh+
34	ZnH	Zinc monohydride	znh
35	CaH₂	Calcium Hydride	cah2
36	ZnH₂	Zinc hydride	znh2
37	B^-	Boron atom anion	b-
38	BH^-	boron monohydride anion	bh-
39	BH⁺	boron monohydride cation	bh+
40	AlH	aluminum monohydride	alh
41	AlH^-	aluminum monohydride anion	alh-
42	AlH⁺	aluminum monohydride cation	alh+
43	BH₂	boron dihydride	bh2
44	AlH₂	aluminum dihydride	alh2
45	AlH₂^-	aluminum dihydride anion	alh2-
46	AlH₂⁺	aluminum dihydride cation	alh2+
47	BH₃^-	boron trihydride anion	bh3-
48	AlH₃⁺	aluminum trihydride cation	alh3+
49	AlH₄^-	Aluminum tetrahydride anion	alh4-
50	C^-	Carbon atom anion	c-
51	Ti	Titanium atom	ti
52	Ti^-	Titanium atom anion	ti-
53	Ti⁺	Titanium atom cation	ti+
54	Sn	Tin atom	sn
55	Sn⁺	Tin cation	sn+
56	CH^-	methylidyne anion	ch-
57	CH⁺	Methylidyne cation	ch+
58	SiH₂^-	silicon dihydride anion	sih2-
59	SiH₂⁺	silicon dihydride cation	sih2+
60	SiH₃^-	Silyl anion	sih3-
61	CH₄⁺	Methane cation	ch4+
62	SiH₄⁺	Silane cation	sih4+
63	SnH₄	Stannane	snh4
64	N^-	Nitrogen atom anion	n-
65	P^-	Phosphorus atom anion	p-
66	P⁺	Phosphorus atom cation	p+
67	Sb	Antimony atom	sb
68	NH	Imidogen	nh
69	NH^-	Imidogen anion	nh-
70	NH⁺	imidogen cation	nh+
71	PH^-	phosphorus monohydride anion	ph-
72	PH⁺	phosphorus monohydride cation	ph+
73	SbH	Antimony monohydride	sbh
74	ND₂	Amidogen-d2	nd2
75	NH₂^-	amino anion	nh2-
76	PH₂	Phosphino radical	ph2
77	PH₂^-	Phosphino anion	ph2-
78	PH₂⁺	Phosphino cation	ph2+
79	AsH₂	Arsenic dihydride	ash2
80	ND₃	Ammonia-d3	nd3
81	SbH₃	Stibine	sbh3
82	O^-	Oxygen atom anion	o-
83	Cr	Chromium atom	cr
84	Te	Tellurium atom	te
85	Te⁺	Tellurium atom cation	te+
86	DO	Hydroxyl-d	od
87	DS	Mercapto-d	ds
88	TeH	Telluryl radical	teh
89	D₂O	Deuterium oxide	d2o
90	D₂S	Hydrogen sulfide-d2	d2s
91	H₂Te	Hydrogen Telluride	h2te
92	Mn	Manganese atom	mn
93	I	Iodine atom	iodine
94	I^-	Iodine atom anion	iodine-
95	I⁺	Iodine atom cation	iodine+
96	DF	Hydrofluoric acid-d	df
97	DCl	Hydrochloric acid-d	dcl
98	HI	Hydrogen iodide	hi
99	HI⁺	Hydrogen iodide cation	hi+
100	H₂F⁺	dihydrogen fluoride cation	h2f+
101	H₂I⁺	Iodonium	h2i+
102	Ne^-	Neon atom anion	ne-
103	Ar^-	Argon atom anion	ar-
104	Ar⁺	Argon atom cation	ar+
105	Fe	Iron atom	fe
106	Xe	Xenon atom	xe
107	NeH⁺	neon hydrogen cation	neh+
108	XeH⁺	Xenon, protonated	xeh+
109	Co	Cobalt atom	cobalt
110	Ni	Nickel atom	ni
111	Li₂^-	lithium diatomic anion	li2-
112	Li₂⁺	lithium diatomic cation	li2+
113	NaLi^-	lithium sodium anion	lina-
114	NaLi⁺	lithium sodium cation	lina+
115	LiK	Lithium Potassium	lik
116	NaK	Sodium Potassium	nak
117	NaK⁺	Sodium Potassium diatomic cation	nak+
118	K₂	Potassium diatomic	k2
119	Cu₂	Copper diatomic	cu2
120	LiBe	Lithium Beryllium	libe
121	LiMg	Lithium magnesium	limg
122	NaBe	Sodium Beryllium	nabe
123	NaMg	Sodium Magnesium	namg
124	Be₂^-	Beryllium diatomic anion	be2-
125	Be₂⁺	Beryllium diatomic cation	be2+
126	Mg₂^-	magnesium diatomic anion	mg2-
127	Mg₂⁺	magnesium diatomic cation	mg2+
128	B₂^-	Boron diatomic anion	b2-
129	Al₂	Aluminum diatomic	al2
130	Al₂^-	aluminum diatomic anion	al2-
131	Al₂⁺	aluminum diatomic cation	al2+
132	BC^-	boron monocarbide anion	bc-
133	BC⁺	boron monocarbide cation	bc+
134	C₂^-	carbon diatomic anion	c2-
135	SiC^-	silicon monocarbide anion	sic-
136	SiC⁺	silicon monocarbide cation	sic+
137	Si₂	Silicon diatomic	si2
138	Si₂^-	silcon diatomic anion	si2-
139	Si₂⁺	silcon diatomic cation	si2+
140	Ge₂	Germanium diatomic	ge2
141	C₂H⁺	Ethynyl cation	c2h+
142	ZnCH₂	Zinc methylene	znch2
143	CCH₂	vinylidene	vinylidene
144	CuCH₃	monomethyl copper	cuch3
145	ZnCH₃	Zinc monomethyl	znch3
146	CH₃CH	methylmethylene	ch3ch
147	CH₂SiH₂	silaethylene	ch2sih2
148	C₂H₅⁺	Ethyl cation	c2h5+
149	C₂H₆⁺	ethane cation	c2h6+
150	CH₃SiH₃	methyl silane	ch3sih3
151	GeH₃CH₃	methyl germane	geh3ch3
152	C₂H₇⁺	Ethane, protonated	c2h7+
153	LiN⁺	Lithium Nitride cation	lin+
154	BeN^-	Beryllium mononitride anion	ben-
155	BN^-	boron nitride anion	bn-
156	AlN^-	aluminum mononitride anion	aln-
157	AlN⁺	aluminum mononitride cation	aln+
158	BN⁺	boron nitride cation	bn+
159	AlN	Aluminum nitride	aln
160	CN⁺	Cyano cation	cn+
161	CP	Carbon monophosphide	cp
162	CP^-	carbon monophosphide anion	cp-
163	CP⁺	carbon monophosphide cation	cp+
164	SiN	Silicon nitride	sin
165	SiN^-	silicon mononitride anion	sin-
166	SiN⁺	silicon mononitride cation	sin+
167	SiP^-	Silicon monophosphide anion	sip-
168	SiP⁺	Silicon monophosphide cation	sip+
169	TiN	Titanium mononitride	tin
170	PN^-	phosphorus nitride anion	pn-
171	PN⁺	phosphorus nitride cation	pn+
172	P₂^-	phosphorus diatomic anion	p2-
173	P₂⁺	phosphorus diatomic cation	p2+
174	SbN	Antimony nitride	sbn
175	As₂	Arsenic diatomic	as2
176	HNB	hydrogen nitrogen boron	hnb
177	HNC	hydrogen isocyanide	hnc
178	HCN^-	Hydrogen cyanide anion	hcn-
179	HCP	Phosphaethyne	hcp
180	NNH	Dinitrogen monohydride	nnh
181	HPO	Hydrogen phosphorus oxide	hpo
182	HPO⁺	Hydrogen phosphorus oxide cation	hpo+
183	CNH₂⁺	N-protonated hydrogen isocyanide	cnh2+
184	H₂CN⁺	hydrocyanonium cation	h2cn+
185	HCNH⁺	N-protonated HCN	hcnh+
186	P₂H₄	Diphosphine	p2h4
187	CH₃PH₂	Methyl phosphine	ch3ph2
188	CH₃NH₃⁺	protonated methylamine	ch3nh3+
189	LiO^-	lithium oxide anion	lio-
190	LiO⁺	lithium oxide cation	lio+
191	NaO^-	sodium oxide anion	nao-
192	NaO⁺	sodium oxide cation	nao+
193	KO	Potassium monoxide	ko
194	KO⁺	Potassium monoxide cation	ko+
195	CuO	Copper Monoxide	cuo
196	BeO^-	Beryllium monoxide anion	beo-
197	BeS	beryllium sulfide	bes
198	MgO	magnesium oxide	mgo
199	MgO^-	magnesium oxide anion	mgo-
200	MgO⁺	magnesium oxide cation	mgo+
201	MgS	magnesium sulfide	mgs
202	MgS^-	magnesium sulfide anion	mgs-
203	MgS⁺	magnesium sulfide cation	mgs+
204	ZnO	zinc monoxide	zno
205	ZnS	Zinc sulfide	zns
206	BeS^-	Beryllium monosulfide anion	bes-
207	BeS⁺	Beryllium monosulfide cation	bes+
208	BO^-	boron monoxide anion	bo-
209	AlO	Aluminum monoxide	alo
210	AlO^-	Aluminum monoxide anion	alo-
211	AlO⁺	aluminum monoxide cation	alo+
212	BS	boron sulfide	bs
213	BS^-	boron monosulfide anion	bs-
214	BS⁺	boron monosulfide cation	bs+
215	AlS	Aluminum sulfide	als
216	AlS^-	aluminum monosulfide anion	als-
217	AlS⁺	aluminum monosulfide cation	als+
218	BO⁺	boron monoxide cation	bo+
219	CS	carbon monosulfide	cs
220	CS^-	carbon monosulfide anion	cs-
221	CS⁺	carbon monosulfide cation	cs+
222	SiO^-	silicon monoxide anion	sio-
223	SiO⁺	silicon monoxide cation	sio+
224	SiS^-	silicon monosulfide anion	sis-
225	SiS⁺	silicon monosulfide cation	sis+
226	CSe^-	Carbon monoselenide anion	cse-
227	CSe⁺	Carbon monoselenide cation	cse+
228	NS⁺	nitrogen sulfide cation	ns+
229	PO^-	phosphorus monoxide anion	po-
230	PO⁺	phosphorus monoxide cation	po+
231	PS^-	phosphorus monosulfide anion	ps-
232	PS⁺	phosphorus monosulfide cation	ps+
233	AsO	Arsenic monoxide	aso
234	SO^-	sulfur monoxide anion	so-
235	S₂^-	sulfur diatomic anion	s2-
236	S₂⁺	sulfur diatomic cation	s2+
237	SeO^-	selenium monoxide anion	seo-
238	SeO⁺	selenium monoxide cation	seo+
239	SeS	Selenium monosulfide	ses
240	SeS^-	selenium monosulfide anion	ses-
241	SeS⁺	selenium monosulfide cation	ses+
242	TeO	Tellurium monoxide	teo
243	Se₂^-	selenium diatomic anion	se2-
244	Se₂⁺	selenium diatomic cation	se2+
245	Te₂	Tellurium diatomic	te2
246	NaOH	sodium hydroxide	naoh
247	KOH	Potassium hydroxide	koh
248	MgOH	magnesium hydroxide	mgoh
249	CaOH	Calcium monohydroxide	caoh
250	HCS	Thioformyl radical	hcs
251	HCS^-	Thioformyl anion	hcs-
252	HCS⁺	Thioformyl cation	hcs+
253	HNO^-	Nitrosyl hydride anion	hno-
254	HNS	Sulfur imide	hns
255	HNS^-	Sulfur imide anion	hns-
256	HO₂^-	Hydroperoxy anion	ho2-
257	CH₃O	Methoxy radical	ch3o
258	CH₃S	thiomethoxy	ch3s
259	H₃O₂⁺	hydrogen peroxide, protonated	h3o2+
260	CH₃SeH	Methane selenol	ch3seh
261	CH₃OH₂⁺	Methanol, protonated	ch3oh2+
262	H₂ONH₃	Water Ammonia Dimer	h2onh3
263	LiCl^-	lithium chloride anion	licl-
264	LiCl⁺	lithium chloride cation	licl+
265	NaF^-	sodium fluoride anion	naf-
266	KF	Potassium Fluoride	kf
267	NaCl^-	sodium chloride anion	nacl-
268	NaCl⁺	sodium chloride cation	nacl+
269	KCl	Potassium Chloride	kcl
270	CuF	Copper monofluoride	cuf
271	LiBr^-	lithium bromide anion	libr-
272	LiBr⁺	lithium bromide cation	libr+
273	CuCl	Copper monochloride	cucl
274	NaBr	Sodium Bromide	nabr
275	NaBr^-	sodium bromide anion	nabr-
276	NaBr⁺	sodium bromide cation	nabr+
277	KBr	Potassium Bromide	kbr
278	LiI	Lithium Iodide	lii
279	NaI	Sodium Iodide	nai
280	KI	Potassium Iodide	ki
281	LiF^-	lithium fluoride anion	lif-
282	BeF	Beryllium monofluoride	bef
283	BeF⁺	Beryllium monofluoride cation	bef+
284	BeCl	beryllium monochloride	becl
285	MgF	Magnesium monofluoride	mgf
286	MgF^-	magnesium fluoride anion	mgf-
287	CaF	Calcium monofluoride	caf
288	MgCl	magnesium monochloride	mgcl
289	MgCl^-	magnesium monochloride anion	mgcl-
290	MgCl⁺	magnesium monochloride cation	mgcl+
291	CaCl	calcium monochloride	cacl
292	ZnF^-	Zinc monofluoride anion	znf-
293	ZnF⁺	Zinc monofluoride cation	znf+
294	ZnCl	Zinc monochloride	zncl
295	BeCl^-	beryllium monochloride anion	becl-
296	BeCl⁺	beryllium monochloride cation	becl+
297	BF^-	Boron monofluoride anion	bf-
298	BF⁺	Boron monofluoride cation	bf+
299	AlF^-	Aluminum monofluoride anion	alf-
300	AlF⁺	Aluminum monofluoride cation	alf+
301	BCl	boron monochloride	bcl
302	BCl^-	boron monochloride anion	bcl-
303	BCl⁺	boron monochloride cation	bcl+
304	AlCl^-	aluminum monochloride anion	alcl-
305	AlCl⁺	aluminum monochloride cation	alcl+
306	AlI	Aluminum monoiodide	ali
307	CF^-	carbon monofluoride anion	cf-
308	CF⁺	carbon monofluoride cation	cf+
309	CCl	carbon monochloride	ccl
310	CCl^-	carbon monochloride anion	ccl-
311	CCl⁺	carbon monochloride cation	ccl+
312	SiCl^-	silicon monochloride anion	sicl-
313	SiCl⁺	silicon monochloride cation	sicl+
314	NF	nitrogen fluoride	nf
315	NF^-	nitrogen monofluorine anion	nf-
316	NF⁺	nitrogen monofluoirde cation	nf+
317	NCl^-	nitrogen monochloride anion	ncl-
318	NCl⁺	nitrogen monochloride cation	ncl+
319	PF	phosphorus monofluoride	pf
320	PF^-	phosphorus monofluoride anion	pf-
321	PF⁺	phosphorus monofluoride cation	pf+
322	PCl	phosphorus chloride	pcl
323	PCl^-	phosphorus monochloride anion	pcl-
324	PCl⁺	phosphorus monochloride cation	pcl+
325	SbF	Antimony monofluoride	sbf
326	SbCl	Antimony monochloride	sbcl
327	FO^-	flourine oxide anion	fo-
328	FO⁺	fluorine monoxide cation	fo+
329	ClO^-	chlorine monoxide anion	clo-
330	SF^-	sulfur monofluoride anion	sf-
331	SCl^-	sulfur monochloride anion	scl-
332	IO	Iodine monoxide	io
333	ClF^-	clorine monofluoride anion	clf-
334	BrF^-	bromine fluoride anion	brf-
335	BrF⁺	bromine fluoride cation	brf+
336	BrCl^-	bromine chloride anion	brcl-
337	BrCl⁺	bromine chloride cation	brcl+
338	IF	Iodine monofluoride	if
339	ICl	Iodine monochloride	icl
340	IBr	Iodine monobromide	ibr
341	I₂	Iodine diatomic	i2
342	I₂⁺	Iodine diatomic cation	i2+
343	CHBr	bromomethylene	chbr
344	DOCl	Hypochlorous acid-d	docl
345	HOI	Hypoiodous acid	hoi
346	FHF	Hydrogen difluoride	fhf
347	FHF^-	Hydrogen difluoride anion	fhf-
348	NH₂F	monofluoroamine	nh2f
349	H₂F₂	Hydrogen fluoride dimer	h2f2
350	CH₃I	methyl iodide	ch3i
351	SiH₃I	Silyl Iodide	sih3i
352	Ne₂	Neon diatomic	ne2
353	C₃⁺	carbon trimer cation	c3+
354	C₃H₃	Propargyl radical	propargyl
355	C₃H₃^-	Propargyl anion	c3h3-
356	C₃H₃⁺	cyclopropenyl cation	cpr+
357	C₃H₃⁺	Propargyl cation	c3h3+
358	C₃H₅⁺	Allyl cation	allyl+
359	Zn(CH₃)₂	dimethyl zinc	dmz
360	SiH₂(CH₃)₂	dimethylsilane	dms
361	KCN	Potassium cyanide	kcn
362	CuCN	Copper cyanide	cucn
363	N₃^-	azide anion	n3-
364	HCNN	diazomethyl radical	hcnn
365	CH₂N₂	diazirine	ch2n2
366	CH₂NN	diazomethane	ch2nn
367	CH₃CN⁺	Acetonitrile cation	ch3cn+
368	CH₃NC	methyl isocyanide	ch3nc
369	NHCHNH₂	aminomethanimine	cn2h4
370	C₂H₅N	Aziridine	c2h5n
371	CH₂CHNH₂	aminoethene	aminoethene
372	CH₂NCH₃	N-methylmethanimine	nmm
373	NH₂BHNH₂	diaminoborane	nh2bhnh2
374	CH₃NHCH₃	Dimethylamine	ch3nhch3
375	NH₂CH₂NH₃⁺	diaminoethane, protonated	pdam
376	Li₂O⁺	dilithium oxide cation	li2o+
377	CNO^-	fulminate	cno-
378	NCO^-	cyanate	nco-
379	SCN	thiocyanato radical	scn
380	SCN^-	thiocyanide anion	scn-
381	BO₂	Boron dioxide	bo2
382	BO₂^-	Boron dioxide anion	bo2-
383	BO₂⁺	Boron dioxide cation	bo2+
384	N₂O⁺	Nitrous oxide cation	n2o+
385	CO₂^-	Carbon dioxide anion	co2-
386	OCS⁺	Carbonyl sulfide cation	cos+
387	SiO₂	silicon dioxide	sio2
388	CS₂⁺	Carbon disulfide cation	cs2+
389	SCTe	Carbon sulfide Telluride	scte
390	NO₂^-	Nitrogen dioxide anion	no2-
391	PO₂	Phosphorus dioxide	po2
392	PO₂^-	Phosphorus dioxide anion	po2-
393	PO₂⁺	Phosphorus dioxide cation	po2+
394	O₃^-	Ozone anion	o3-
395	O₃⁺	Ozone cation	o3+
396	SO₂^-	Sulfur dioxide anion	so2-
397	SO₂⁺	Sulfur dioxide cation	so2+
398	S₃^-	Sulfur trimer anion	s3-
399	TeO₂	Tellurium Dioxide	teo2
400	CS₂H⁺	Carbon disulfide, protonated	cs2h+
401	HNCO	Isocyanic acid	hnco
402	HOCN	cyanic acid	hocn
403	HCO₂^-	formate anion	hco2-
404	HNNO	nitrosoazane	hnno
405	HOCO⁺	Hydrocarboxyl cation	hoco+
406	HNO₂	Nitrous acid	hno2
407	HNO₂⁺	nitrous acid cation	hno2+
408	CH₂CO⁺	Ketene cation	ch2co+
409	HCCOH	ethynol	hccoh
410	Mg(OH)₂	Magnesium dihydroxide	h2mgo2
411	CH₂O₂	Dioxirane	diox
412	CH₂CHO	Vinyloxy radical	ch2cho
413	CH₃CO	Acetyl radical	ch3co
414	CH₃CO^-	Acetyl anion	ch3co-
415	CH₃CO⁺	acetyl cation	ch3co+
416	CH₂OOH	CH2OOH radical	ch2ooh
417	CH₃OO	methylperoxy radical	ch3oo
418	CH₃OO^-	methylperoxy anion	ch3oo-
419	CH₃OO⁺	methylperoxy cation	ch3oo+
420	CH₂CHOH	ethenol	ch2choh
421	NH₃CHO⁺	Formamide, N-Protonated	nh3cho+
422	CH₃OOH	Methyl peroxide	ch3ooh
423	H₂OH₂CO	water formaldehyde dimer	h2oh2co
424	CH₂CH₂OH	2-hydroxy ethyl radical	ch2ch2oh
425	CH₃CH₂O	Ethoxy radical	ethoxy
426	CH₃OCH₂	methoxymethyl radical	ch3och2
427	CH₃OHH₂O	methanol water dimer	ch3ohh2o
428	H₂OCH₃OH	water methanol dimer	h2och3oh
429	ZnF₂	Zinc difluoride	znf2
430	FCN	Cyanogen fluoride	fcn
431	ClCN	chlorocyanogen	clcn
432	ICN	Cyanogen iodide	icn
433	MgCl₂	Magnesium dichloride	mgcl2
434	ZnCl₂	Zinc dichloride	zncl2
435	CaF₂	Calcium difluoride	caf2
436	BrNO	Nitrosyl bromide	brno
437	INO	Nitrosyl iodide	ino
438	CF₂^-	Difluoromethylene anion	cf2-
439	CF₂⁺	Difluoromethylene cation	cf2+
440	CCl₂	dichloromethylene	ccl2
441	CCl₂^-	dichloromethylene anion	ccl2-
442	CCl₂⁺	dichloromethylene cation	ccl2+
443	SiCl₂	Dichlorosilylene	sicl2
444	FOO	Dioxygen monofluoride radical	foo
445	ClOO	chloroperoxy radical	cloo
446	ClOO⁺	chloroperoxy cation	cloo+
447	OClO⁺	Chlorine dioxide cation	oclo+
448	ClS₂	Sulfur chloride	cls2
449	NF₂	Difluoroamino radical	nf2
450	NF₂⁺	Difluoroamino cation	nf2+
451	F₂O	Difluorine monoxide	f2o
452	SF₂⁺	sulfur difluoride cation	sf2+
453	Cl₂O	Dichlorine monoxide	cl2o
454	BrOCl	Bromine hypochlorite	brocl
455	BrOBr	Bromine oxide	brobr
456	I₃^-	triiodide	i3-
457	HCCF⁺	fluoroacetylene cation	hccf+
458	HFCO	formyl fluoride	hfco
459	COHCl	Formyl chloride	cohcl
460	COHBr	Formyl bromide	cohbr
461	BHF₂	Difluoroborane	bhf2
462	BHCl₂	Borane, dichloro-	bhcl2
463	HOClO	Chlorous acid	hoclo
464	CH₂FCl	fluorochloromethane	ch2fcl
465	CH₂FI	fluoroiodomethane	ch2fi
466	CH₂ClI	chloroiodomethane	ch2cli
467	CH₂BrI	bromoiodomethane	ch2bri
468	CH₂I₂	Diiodomethane	ch2i2
469	CH₂CHF⁺	fluoroethene cation	ch2chf+
470	C₂H₃Cl	Ethene, chloro-	ch2chcl
471	C₂H₃Br	vinyl bromide	c2h3br
472	C₂H₃I	Vinyl iodide	c2h3i
473	CH₃OCl	methyl hypochlorite	ch3ocl
474	C₂H₅F	fluoroethane	c2h5f
475	CH₃CH₂Cl	Ethyl chloride	c2h5cl
476	CH₃SiFH₂	fluoromethylsilane	ch3sifh2
477	C₂H₅I	Ethyl iodide	c2h5i
478	XeF₂	Xenon difluoride	xef2
479	C₄⁺	Carbon tetramer cation	c4+
480	C₂H₃CCH	1-Buten-3-yne	c2h3cch
481	H₂CCCCH₂	Butatriene	h2cccch2
482	C₄H₆	Cyclobutene	c822355
483	C₄H₆	Methylenecyclopropane	c6142730
484	CH₂CCHCH₃	1,2-Butadiene	butad12
485	CH₃CCCH₃	2-Butyne	c503173
486	CH₂C(CH₃)CH₃	1-Propene, 2-methyl-	isobute
487	CH₃CHCHCH₃	2-Butene, (E)-	bute2e
488	CH₃CHCHCH₃	2-Butene, (Z)-	bute2z
489	B(CH₃)₃	trimethylborane	bme3
490	Al(CH₃)₃	trimethyl aluminum	tma
491	C(CH₃)₃	Tert-butyl radical	tbutyl
492	CH₂CH(CH₃)₂	Isobutyl radical	isobutyl
493	CH₃CHCH₂CH₃	2-Butyl radical	butyl2
494	CH₃CH(CH₃)CH₃	Isobutane	isobutane
495	SiH(CH₃)₃	trimethylsilane	trimsi
496	C₂N₂⁺	Cyanogen cation	c2n2+
497	P₄	Phosphorus tetramer	p4
498	HCCCN	Cyanoacetylene	hcccn
499	C₃H₃N	acrylonitrile	ch2chcn
500	CH₅N₃	Guanidine	guanidine
501	CH₆N₃⁺	guanidinium	ch6n3+
502	C₃H₇N	Cyclopropylamine	cpram
503	C₃H₇N	Azetidine	azet
504	C₂H₈N₂	Ethylenediamine	ethdiam
505	CH₃NHNHCH₃	dimethyl hydrazine	dmh
506	CH₃CH(NH₂)CH₃	2-Propanamine	pram2
507	N(CH₃)₃	Trimethylamine	trimeam
508	As(CH₃)₃	trimethyl arsine	tmas
509	Li₂O₂	dilithium dioxide	li2o2
510	Na₂O₂	disodium dioxide	na2o2
511	K₂O₂	dipotassium dioxide	k2o2
512	B₂O₂	Diboron dioxide	b2o2
513	CO₃	Carbon trioxide	co3
514	CO₃^--	carbonate	co3--
515	NO₃	Nitrogen trioxide	no3
516	SO₃^-	Sulfur trioxide anion	so3-
517	SO₃⁺	Sulfur trioxide cation	so3+
518	TeO₃	Tellurium trioxide	teo3
519	HCO₃^-	bicarbonate anion	hco3-
520	HSO₃	Hydroxysulfonyl radical	hso3
521	C₂H₂CO	cyclopropenone	c2h2co
522	HCCCHO	2-propynal	hcccho
523	C₂H₂O₂⁺	Ethanedial cation	c2h2o2+
524	H₂CO₃	Carbonic acid	h2co3
525	H₂CS₃	thiocarbonic acid	h2cs3
526	H₂NO₃⁺	Nitric Acid, Protonated	h2no3+
527	CH₃COO^-	acetate anion	ch3coo-
528	CH₃ONO	Methyl nitrite	ch3ono
529	H₃BO₃	Boric acid	h3bo3
530	H₃CO₃⁺	carbonic acid, protonated	h3co3+
531	C₃H₄O	2-Propyn-1-ol	c107197
532	C₃H₄O	allenol	c9000071
533	C₃H₄O	Cyclopropanone	cpone
534	C₃H₄O	Methylketene	c6004440
535	NH₂CONH₂⁺	Urea cation	urea+
536	NH₂CSNH₂	Thiourea	thiourea
537	C₂H₄O₂	1,3-dioxetane	c2h4o2
538	CH₃COOH	Acetic acid	ch3cooh
539	CH₃OCHO	methyl formate	ch3ocho
540	CHOCH₂OH	hydroxy acetaldehyde	haa
541	H₂OHCOOH	Water formic acid dimer 1	h2ohcooh_10
542	H₂OHCOOH	Water formic acid dimer 2	h2ohcooh_11
543	HCOOHH₂O	Formic acid water dimer	hcoohh2o
544	HOCH₂OOH	hydroxy methyl peroxide	hoch2ooh
545	CH₃CONH₂	Acetamide	acetamide
546	C₂H₅OO	ethylperoxy radical	c2h5oo
547	C₃H₆O	Propylene oxide	prox
548	C₃H₆S	Thietane	thietane
549	C₃H₆S	Thiirane, methyl-	methiirane
550	C₂H₆O₂	1,2-Ethanediol	ethdiol
551	CH₃OOCH₃	dimethylperoxide	dmp
552	CH₂SHCH₂SH	1,2-Ethanedithiol	ethdisl
553	CH₃SSCH₃	Disulfide, dimethyl	ch3ssch3
554	CH₃COHCH₃⁺	acetone, protonated	acetoneh+
555	CH₃CHOHCH₃	Isopropyl alcohol	isoproh
556	C₃H₇SH	1-Propanethiol	prsh
557	CH₃CHSHCH₃	2-Propanethiol	isoprsh
558	CH₃SCH₂CH₃	Ethane, (methylthio)-	etsme
559	H₂OCH₃OCH₃	water dimethylether dimer	h2och3och3
560	Na₂F₂	Sodium Fluoride Dimer	na2f2
561	Na₂Cl₂	Disodium dichloride	na2cl2
562	C₂F₂	difluoroacetylene	c2f2
563	C₂Cl₂	dichloroacetylene	c2cl2
564	C₂Cl₂⁺	dichloroacetylene cation	c2cl2+
565	ClNO₂	Nitryl chloride	clno2
566	BrONO	Bromine nitrite	brono
567	N₂F₂	(Z)-Difluorodiazene	n2f2_z
568	N₂F₂	Dinitrogen difluoride, (E)-	n2f2_e
569	COFCl	Carbonic chloride fluoride	cofcl
570	CCl₂O	Phosgene	cl2co
571	COBr₂	Carbonic dibromide	cobr2
572	BF₃^-	Borane, trifluoro- anion	bf3-
573	AlF₂Cl	Aluminum chloride difluoride	alclf2
574	AlFCl₂	Aluminum dichloride fluoride	alcl2f
575	AlCl₃	Aluminum trichloride	alcl3
576	AlBr₃	Aluminum Bromide	albr3
577	ClO₃	Chlorine trioxide	clo3
578	ClO₃^-	chlorate anion	clo3-
579	BrO₃^-	Bromate anion	bro3-
580	CF₃	Trifluoromethyl radical	cf3
581	CCl₃	Trichloromethyl radical	ccl3
582	CCl₃^-	Trichloromethyl anion	ccl3-
583	CCl₃⁺	Trichloromethyl cation	ccl3+
584	SiCl₃	trichlorosilyl radical	sicl3
585	SiCl₃⁺	trichlorosilyl cation	sicl3+
586	FOOF	Perfluoroperoxide	foof
587	FSSF	Difluorodisulfane	fssf
588	S₂F₂	Thio-thionyl fluoride	s2f2
589	SOCl₂	thionyl chloride	socl2
590	SeOCl₂	selenium oxychloride	seocl2
591	NF₃^-	Nitrogen trifluoride anion	nf3-
592	NF₃⁺	Nitrogen trifluoride cation	nf3+
593	PF₃	Phosphorus trifluoride	pf3
594	AsF₃	Arsenic trifluoride	asf3
595	PCl₃	Phosphorus trichloride	pcl3
596	SbF₃	Antimony Trifluoride	sbf3
597	SbCl₃	Antimony Trichloride	sbcl3
598	AsBr₃	Arsenic tribromide	asbr3
599	NI₃	Nitrogen triiodide	ni3
600	PI₃	Phosphorus triiodide	pi3
601	ClSSCl	Disulfur dichloride	s2cl2
602	BrF₃	Bromine trifluoride	brf3
603	IF₃	iodone trifluoride	if3
604	CHF₂Cl	difluorochloromethane	chf2cl
605	CHFCl₂	fluorodichloromethane	chfcl2
606	SiHCl₃	Trichlorosilane	sihcl3
607	CHF₂I	difluoroiodomethane	chf2i
608	CHFClI	fluorochloroiodomethane	chfcli
609	CHCl₂I	dichloroiodomethane	chcl2i
610	CHClBr₂	Methane, dibromochloro-	chclbr2
611	CHBr₃	bromoform	chbr3
612	CHI₃	Iodoform	chi3
613	C₂H₂F₂	Ethene, 1,2-difluoro-, (E)-	c2h2f2e
614	C₂H₂F₂	Ethene, 1,2-difluoro-, (Z)-	c2h2f2z
615	CH₂CF₂	Ethene, 1,1-difluoro-	ch2cf2
616	CH₂CCl₂	Ethene, 1,1-dichloro-	ch2ccl2
617	CHClCHCl	Ethene, 1,2-dichloro-, (E)-	chclchcle
618	CHClCHCl	Ethene, 1,2-dichloro-, (Z)-	chclchclz
619	C₂H₂Br₂	1,1-dibromoethene	c2h2br2
620	CH₂FCHO	Fluoroacetaldehyde	ch2fcho
621	CH₃COF	Acetyl fluoride	ch3cof
622	CH₂ClCHO	chloroacetaldehyde	ch2clcho
623	CH₃COCl	Acetyl Chloride	ch3cocl
624	CH₃CHFCl	Ethane, 1-chloro-1-fluoro-	ch3chfcl
625	CH₃CHCl₂	Ethane, 1,1-dichloro-	ch3chcl2
626	CH₂CFCH₃	2-fluoropropene	2fpro
627	C₃H₅Cl	1-Propene, 3-chloro-	prop1cl3
628	C₃H₅Cl	1-chloro-1-propene(E)	prop1cl1e
629	C₃H₅Cl	1-chloro-1-propene(Z)	prop1cl1z
630	CH₂ClCH₂CH₃	Propane, 1-chloro-	prcl1
631	CH₃CH₂CH₂Br	n-propyl bromide	prbr
632	CH₃CHBrCH₃	i-propyl bromide	iprbr
633	C₃H₉O⁺	trimethyl oxonium cation	c3h9o+
634	C₅H₅^-	cylopentadienyl anion	c5h5-
635	C₅H₆	1,3-Cyclopentadiene	c542927
636	C₅H₆	1-Buten-3-yne, 2-methyl-	c78808
637	C₅H₆	3-Penten-1-yne, (E)-	c2004695
638	C₅H₆	3-Penten-1-yne, (Z)-	c1574409
639	C₅H₆	Bicyclo[2.1.0]pent-2-ene	c5164352
640	C₅H₆	Cyclopropylacetylene	c6746947
641	C₅H₇	1,3-pentadienyl radical	pdyl
642	C₅H₇	cyclopentenyl radical	cpyl
643	C₅H₈	1,2-Butadiene, 3-methyl-	c598254
644	C₅H₈	1,2-Pentadiene	c591957
645	C₅H₈	1,3-Butadiene, 2-methyl-	c78795
646	C₅H₈	1,3-Pentadiene, (E)-	c2004708
647	C₅H₈	1,3-Pentadiene, (Z)-	c1574410
648	C₅H₈	1,4-Pentadiene	c591935
649	C₅H₈	1-pentyne	a1pentyne
650	C₅H₈	2,3-Pentadiene	c591968
651	C₅H₈	Cyclobutane, methylene-	c1120565
652	C₅H₈	Cyclopentene	c142290
653	CH₃CCCH₂CH₃	2-Pentyne	2pentyne
654	C₅H₁₀	1-Butene, 2-methyl-	c563462
655	C₅H₁₀	2-Butene, 2-methyl-	c513359
656	C₅H₁₀	2-Pentene, (E)-	c646048
657	C₅H₁₀	2-Pentene, (Z)-	c627203
658	C₅H₁₀	Cyclopentane	c287923
659	C₅H₁₀	Cyclopropane, 1,1-dimethyl-	c1630940
660	CH₂CHCH₂CH₂CH₃	1-pentene	pentene
661	C₅H₁₁	2-Methylbut-2-yl radical	c4348350
662	C₅H₁₂	Butane, 2-methyl-	buta2
663	C₅H₁₂	Pentane	pentane
664	C₅H₁₂	Propane, 2,2-dimethyl-	neopentane
665	Si(CH₃)₄	tetramethylsilane	tms
666	N₂O₃	Dinitrogen trioxide	n2o3
667	C₃H₂N₂	Malononitrile	c3h2n2
668	C₂H₃N₃	1H-1,2,4-Triazole	c288880
669	C₃H₄N₂	1H-Pyrazole	1hpyraz
670	C₄H₅N	(E)-2-Butenenitrile	c627269
671	C₄H₅N	(Z)-2-Butenenitrile	c1190767
672	C₄H₅N	2H-pyrrole	pyrrole2
673	C₄H₅N	3H-pyrrole	pyrrole3
674	C₄H₅N	Cyclopropanecarbonitrile	c5500210
675	CH₂CHCH₂CN	Allylcyanide	ch2chch2cn
676	C₃H₆N₂	3-Aminopropionitrile	c151188
677	C₅H₈	Bicyclo[2.1.0]pentane	c185944
678	C₅H₈	Spiropentane	c157404
679	C₄H₉N	Cyclobutylamine	cbam
680	C₄H₉N	Pyrrolidine	pyrrolidine
681	C₃H₁₀N₂	1,2-Diaminopropane	diampr12
682	C(CH₃)₃NH₂	2-Propanamine, 2-methyl-	c75649
683	C(NH₂)H₂C(CH₃)HCH₃	1-Propanamine, 2-methyl-	c78819
684	C(NH₂)H₂CH₂CH₂CH₃	1-Butanamine	butam1
685	CH₃C(NH₂)HCH₂CH₃	2-Butanamine	butam2
686	C₃O₂⁺	Carbon suboxide cation	c3o2+
687	CaCO₃	Calcium Carbonate	caco3
688	PO₄^---	phosphate	po4---
689	SO₄^--	sulfate	so4--
690	C₂H₂N₂S	1,3,4-Thiadiazole	c2h2n2s
691	CHOCOOH	oxo acetic acid	oaa
692	H₂SO₄	Sulfuric acid	h2so4
693	CH₃C(O)OO	acetyl peroxy radical	ch3coo2
694	CH₃NO₃	Methyl nitrate	ch3no3
695	H₃PO₄	Phosphoric Acid	h3po4
696	C₄H₄O⁺	Furan cation	furan+
697	C₄H₄S	Thiophene	furans
698	C₃H₄O₂	β–Propiolactone	beta
699	C₃H₄O₂	2-Propenoic acid	propenoic2
700	C₃H₄O₂	propanedial	propanedial
701	C₃H₄O₂	propenalol	propenalol
702	C₂H₄O₃	trioxolane124	triox
703	HOCH₂COOH	Hydroxyacetic acid	hac
704	CH₂CHCONH₂	Acrylamide	c79061
705	CH₅N₃S	Hydrazinecarbothioamide	c79196
706	H₂NCH₂COOH	Glycine	glycine
707	C₄H₆O	cis-2-butenal	butenal2c
708	C₄H₆O	Cyclobutanone	cbutone
709	C₄H₆O	Furan, 2,3-dihydro-	furan23h
710	C₄H₆O	Furan, 2,5-dihydro-	furan25h
711	CHOCHCHCH₃	2-Butenal	butenal2
712	C₄H₆S	Thiophene, 2,3-dihydro-	thiop23h
713	C₄H₆S	Thiophene, 2,5-dihydro-	thiop25h
714	C₂H₆N₂O	Urea, methyl-	c598505
715	C₃H₆O₂	1,3-Dioxolane	dioxolane
716	CH₃COOCH₃	methyl acetate	aame
717	CH₃SSSCH₃	dimethyl trisulfide	c2h6s3
718	C₃H₇NO	dimethylformamide	dmf
719	C₃H₇NO	Propanamide	propanam
720	C₂H₃OC₂H₅	Ethene, ethoxy-	c109922
721	C₄H₈O	Cyclobutanol	c2919235
722	C₄H₈O	Furan, tetrahydro-	thf
723	CH₂C(CH₃)OCH₃	1-Propene, 2-methoxy-	pre1meo2
724	CH₃COCH₂CH₃	2-Butanone	buta2one
725	CHOCH(CH₃)CH₃	Propanal, 2-methyl-	c78842
726	CHOCH₂CH₂CH₃	Butanal	butanal
727	C₃H₈O₂	1,3-Propanediol	c504632
728	C₃H₈O₂	Hydroperoxide, 1-methylethyl	c3031752
729	C₃H₈O₂	Methane, dimethoxy-	c109875
730	C₃H₈O₂	Propylene glycol	c57556
731	C₃H₈S₂	1,3-Propanedithiol	c109808
732	C₄H₁₀O	1-Propanol, 2-methyl-	c78831
733	C₄H₁₀O	2-Butanol, (.+/-.)-	butanol2
734	C₄H₁₀O	Ethanol, 1,1-dimethyl-	tbuoh
735	C₄H₁₀O	Propane, 2-methoxy-	c598538
736	C₄H₁₀O⁺	1-Butanol cation	butanol1+
737	C₂H₅SC₂H₅	Diethyl sulfide	etset
738	CH₂(SH)CH(CH₃)CH₃	1-Propanethiol, 2-methyl-	c513440
739	CH₃C(SCH₃)HCH₃	Propane, 2-(methylthio)-	mesipr
740	CH₃CH(SH)CH₂CH₃	2-Butanethiol	butansl2
741	FNO₃	Fluorine nitrate	fno3
742	ClONO₂	Chlorine nitrate	clono2
743	TiCl₄	Titanium tetrachloride	ticl4
744	ClO₄^-	perchlorate anion	clo4-
745	BF₄^-	tetrafluoroboron anion	bf4-
746	ClFO₃	Perchloryl fluoride	clfo3
747	SO₂F₂	Sulfuryl fluoride	so2f2
748	SO₂Cl₂	Sulfuryl chloride	so2cl2
749	F₃NO	Nitrogen trifluoride oxide	f3no
750	F₃PO	Phosphoryl fluoride	pf3o
751	Cl₃PO	Phosphoryl chloride	pcl3o
752	CF₄	Carbon tetrafluoride	cf4
753	SiF₄	Silicon tetrafluoride	sif4
754	CFCl₃	Trichloromonofluoromethane	cfcl3
755	CCl₄⁺	Carbon tetrachloride cation	ccl4+
756	CBrClF₂	Methane, bromochlorodifluoro-	cbrclf2
757	SiCl₄	Silane, tetrachloro-	sicl4
758	CF₃I	trifluoroiodomethane	cf3i
759	CBrCl₃	Methane, bromotrichloro-	cbrcl3
760	CBr₂F₂	Methane, dibromodifluoro-	cbr2f2
761	GeCl₄	Germanium Tetrachloride	gecl4
762	CCl₃I	trichloroiodomethane	ccl3i
763	CFClBrI	fluorochlorobromoiodomethane	cfclbri
764	CF₂I₂	difluorodiiodomethane	cf2i2
765	CCl₂I₂	dichlorodiiodomethane	ccl2i2
766	CBr₃I	tribromoiododmethane	cbr3i
767	CI₄	tetraiodomethane	ci4
768	SiI₄	silicon tetraiodide	sii4
769	C₂HF₃	Trifluoroethylene	c2hf3
770	C₂HF₃⁺	Trifluoroethylene cation	c2hf3+
771	CHClCCl₂	Trichloroethylene	chclccl2
772	CHBrCF₂	1-Bromo-2,2-difluoroethylene	chbrcf2
773	HClO₄	perchloric acid	hclo4
774	HSO₃F	Fluorosulfonic acid	hso3f
775	CHClCCHCl	1,3-dichloroallene	chclcchcl
776	CH₃CF₃	Ethane, 1,1,1-trifluoro-	ch3cf3
777	CH₃CF₂Cl	1-Chloro-1,1-Difluoroethane	ch3cf2cl
778	CH₃CFCl₂	1,1-Dichloro-1-fluoroethane	ch3cfcl2
779	CH₂ClCHCl₂	1,1,2-trichloroethane	ch2clchcl2
780	CH₃CCl₃	Ethane, 1,1,1-trichloro-	ch3ccl3
781	NH₃BCl₃	Amminetrichloroboron	nh3bcl3
782	C₃H₅ClO	Oxirane, (chloromethyl)-	c106898
783	CH₃CF₂CH₃	2,2-difluoropropane	ch3cf2ch3
784	CH₂ClCH₂CH₂Cl	1,3-dichloropropane	prdicl13
785	CH₂ClCHClCH₃	Propane, 1,2-dichloro-	prdicl12
786	CHCl₂CH₂CH₃	1,1-dichloropropane	prdicl11
787	SiCl₂(CH₃)₂	dichlorodimethylsilane	sicl2me2
788	CH₂CClCH₂CH₃	1-Butene, 2-chloro-	bute1cl2
789	CH₂CHCH₂CH₂Cl	1-Butene, 4-chloro-	bute1cl4
790	CH₂CHCHClCH₃	1-Butene, 3-chloro-	bute1cl3
791	CH₃CClCHCH₃	2-Butene, 2-chloro-, (E)-	bute2cl2e
792	CH₃CClCHCH₃	2-Butene, 2-chloro-, (Z)-	bute2cl2z
793	CHClCHCH₂CH₃	(E)-1-Chloro-1-butene	bute1cl1
794	CHClCHCH₂CH₃	(Z)-1-Chloro-1-butene	bute1cl1z
795	C₄H₉F	1-fluorobutane	butaf1
796	CH₃CHFCH₂CH₃	2-fluorobutane	butaf2
797	CH₂ClCH₂CH₂CH₃	Butane, 1-chloro-	butacl1
798	CH₃CCl(CH₃)CH₃	Propane, 2-chloro-2-methyl-	procl2me2
799	CH₃CHClCH₂CH₃	Butane, 2-chloro-	butacl2
800	XeF₄	Xenon tetrafluoride	xef4
801	C₆H₄	(E)-Hexa-1,5-diyne-3-ene	c6h4e
802	C₆H₄	(Z)-Hexa-1,5-diyne-3-ene	c6h4z
803	C₆H₄	Benzyne	benzyne
804	C₆H₅	phenyl	phenyl
805	C₆H₆	2,4-Hexadiyne	hexadiyne
806	C₆H₆	3,4-Dimethylenecyclobutene	cb34m
807	C₆H₆⁺	Benzene cation	c6h6+
808	C₆H₈	(E)-hexa-1,3,5-triene	c821078
809	C₆H₈	(Z)-hexa-1,3,5-triene	hexatri135
810	C₆H₈	(Z)-hexa-2,3,4-triene	hetr234c
811	C₆H₈	1,3-Cyclohexadiene	cyhexadiene13
812	C₆H₈	1,4-Cyclohexadiene	cyhexadiene14
813	C₆H₈	3-Methylenecyclopentene	c930267
814	C₆H₈	Bicyclo[2.1.1]hex-2-ene	c822413
815	C₆H₈	Bicyclo[2.2.0]hex-1(4)-ene	c30830207
816	C₆H₈	Bicyclo[3.1.0]hex-2-ene	c694019
817	C₆H₁₀	1,3-Hexadiene, (E)-	hexdi13e
818	C₆H₁₀	1,3-Hexadiene, (Z)-	hexdi13z
819	C₆H₁₀	1,4-Hexadiene, (E)-	hexdi14t
820	C₆H₁₀	1,4-Hexadiene, (Z)-	hexdi14z
821	C₆H₁₀	1-Butyne, 3,3-dimethyl-	c917920
822	C₆H₁₀	1-Hexyne	hexyne1
823	C₆H₁₀	2,4-Hexadiene, (E,E)-	hexdi24ee
824	C₆H₁₀	2,4-Hexadiene, (E,Z)-	hexdi24ez
825	C₆H₁₀	2,4-Hexadiene, (Z,Z)-	hexdi24zz
826	C₆H₁₀	2-Hexyne	c764352
827	C₆H₁₀	cyclohexene	cyclohexene
828	C₆H₁₀	Cyclopentene, 1-methyl-	c693890
829	C₆H₁₀	Cyclopentene, 3-methyl-	c1120623
830	C₆H₁₀	Cyclopentene, 4-methyl-	c1759815
831	C₄H₆(CH₃)₂	1,1-dimethylcyclobutane	dmcb11
832	C₆H₁₂	(1R,2R)-1,2-dimethylcyclobutane	dmcb12t
833	C₆H₁₂	(E)-2-Hexene	e2hexene
834	C₆H₁₂	(E)-3-methylpent-2-ene	c616126
835	C₆H₁₂	(Z)-3-methylpent-2-ene	c922623
836	C₆H₁₂	(Z)-hex-2-ene	z2hexene
837	C₆H₁₂	2,3-dimethyl-but-2-ene	tmeet
838	C₆H₁₂	3-methylenepentane	c760214
839	C₆H₁₂	cis-1,2-dimethylcyclobutane	dmcb12c
840	C₆H₁₂	cis-1,3-dimethylcyclobutane	dmcb13c
841	C₆H₁₂	Cyclohexane	cyclohexane
842	C₆H₁₂	Cyclopentane, methyl-	c96377
843	C₆H₁₂	Ethylcyclobutane	c4806615
844	C₆H₁₄	Butane, 2,2-dimethyl-	buta22
845	C₆H₁₄	Butane, 2,3-dimethyl-	buta23
846	C₆H₁₄	Hexane	hexane
847	C₆H₁₄	Pentane, 2-methyl-	penta2
848	C₆H₁₄	Pentane, 3-methyl-	penta3
849	C₄N₂	2-Butynedinitrile	c4n2
850	C₂H₂N₄	sym-tetrazine	ttz
851	C₃H₃N₃	1,3,5-Triazine	triazine135
852	CH₃N₅	5-Aminotetrazole	c4418615
853	C₄H₄N₂	1,3-Diazine	diazine13
854	C₄H₄N₂	Pyrazine	pyrazine
855	C₄H₄N₂	Pyridazine	pyridazine
856	C₄H₄N₂	Succinonitrile	c110612
857	C₂H₄N₄	1H-Tetrazole, 1-methyl-	c16681779
858	C₂H₄N₄	1H-Tetrazole, 5-methyl-	c4076362
859	C₂H₄N₄	2H-Tetrazole, 2-methyl-	c16681780
860	C₅H₅N	Bicyclo[1.1.0]butane-1-carbonitrile	bibucn
861	C₅H₅N	E-2,4-pentadienenitrile	bdcn
862	C₅H₅N	Pyridine	pyridine
863	B₃N₃H₆	borazine	borazine
864	C₆H₆	Fulvene	fulvene
865	C₄H₆N₂	1H-Imidazole, 2-methyl-	c693981
866	C₅H₇N	(E)-2-Pentenenitrile	c26294984
867	C₅H₇N	(E)-3-Pentenenitrile	c16529661
868	C₅H₇N	(Z)-2-Pentenenitrile	c25899507
869	C₅H₇N	1H-Pyrrole, 1-methyl-	c96548
870	C₅H₇N	Cyclobutanecarbonitrile	c4426113
871	C₅H₉N	1,2,3,6-Tetrahydropyridine	c694053
872	C₅H₉N	Butanenitrile, 2-methyl-	c18936179
873	C₅H₉N	Pentanenitrile	c110598
874	C₅H₉N	Propanenitrile, 2,2-dimethyl-	c630182
875	C₆H₁₀	Bicyclo[3.1.0]hexane	c285585
876	C₅H₁₁N	Cyclopentanamine	cypentam
877	C₅H₁₁N	Piperidine	piper
878	C₄H₁₂N₂	1,2-Butanediamine	c4426486
879	C₄H₁₂N₂	2-Methyl-1,2-propanediamine	c811938
880	Li₂CO₃	Lithium Carbonate	li2co3
881	C₂O₄^--	oxalate anion	c2o4
882	C₂H₃NO₃	Oxamic acid	oxamic
883	C₄H₄O₂	2(5H)-Furanone	furanone
884	C₄H₄O₂	2-Oxetanone, 4-methylene-	c674828
885	C₂H₄N₂O₂	Oxalamide	oxalamide
886	C₃H₄O₂S	2H-Thiete-1,1-dioxide	c7285327
887	C₃H₄S₃	1,3-Dithiolane-2-thione	c822388
888	C₄H₅NO	3-Methylisoxazole	isox3m
889	C₄H₅NO	Isoxazole, 5-methyl-	c5765446
890	C₄H₅NS	4-Methylthiazole	c693958
891	C₅H₆O	2-methylfuran	furan2m
892	C₅H₆O	3-Methylfuran	furan3m
893	C₅H₆S	Thiophene, 2-methyl-	c554143
894	C₅H₆S	Thiophene, 3-methyl-	c616444
895	C₄H₆O₂	2,3-Butanedione	c431038
896	C₄H₆O₂	2-Propenoic acid, methyl ester	c96333
897	C₄H₆O₂	Crotonic Acid	crot
898	C₄H₆OS	2,3-dihydrothiophene-2-ol	c9000117
899	C₄H₆OS	2,5-dihydrothiophene-3-ol	c9000093
900	C₄H₆OS	4,5-dihydrothiophene-2-ol	c9000106
901	C₄H₆OS	4,5-dihydrothiophene-3-ol	c9000082
902	C₄H₆OS	Dihydro-2-(3H)-thiophenone	c1003107
903	C₄H₆OS	Dihydro-3-(2H)-thiophenone	c1003049
904	C₄H₆OS	Vinyl sulfoxide	c1115157
905	CH₆N₄S	Carbonothioic dihydrazide	thiacarb
906	C₂H₆N₂O₂	(E)-Azodioxymethane	c37765154
907	C₂H₆N₂O₂	Dimethylnitroamine	c4164287
908	C₃H₆S₃	Carbonotrithioic acid, dimethyl ester	c2314489
909	C₂H₆O₃S	Sulfurous acid, dimethyl ester	c616422
910	C₄H₇NO	2-Pyrrolidinone	c616455
911	C₄H₇NO	Methacrylamide	c79390
912	C₄H₇NO	Oxazole, 4,5-dihydro-2-methyl-	c1120645
913	HCONH₂CN₂H₄	formamide aminomethanimine dimer	d13
914	C₃H₇ONO	Propyl nitrite	prono
915	CH₃CH(CH₃)ONO	Isopropyl nitrite	c541424
916	CH₃CH(NH₂)COOH	Alanine	alanine
917	CH₃NHCH₂COOH	Sarcosine	sarcosine
918	NH₂CH₂CH₂COOH	β–alanine	betaalanine
919	NH₂COOC₂H₅	Urethane	urethane
920	C₅H₈O	2H-Pyran, 3,4-dihydro-	c110872
921	C₅H₈O	Furan, 2,3-dihydro-5-methyl-	c1487156
922	N(CH₃)₂CONH₂	Urea, N,N-dimethyl-	c598947
923	NH₂CONHC₂H₅	Urea, ethyl-	c625525
924	C₄H₈O₂	1,3-Dioxane	dioxan13
925	C₄H₈O₂	1,3-Dioxolane, 2-methyl-	c497267
926	C₄H₈O₂	1,4-Dioxane	dioxan14
927	C₄H₈O₂	Ethene, 1,1-dimethoxy-	c922690
928	C₄H₈OS	s-Ethyl thioacetate	c625605
929	C₃H₈O₃	1,2,3-Propanetriol	glycerin
930	C₃H₈O₂S	(Methylsulfonyl)ethane	c594434
931	C₄H₉NO	Butanamide	c541355
932	C₄H₉NO	Propanamide, 2-methyl-	c563837
933	C₅H₁₀O	2-Butanone, 3-methyl-	c563804
934	C₅H₁₀O	2H-Pyran, tetrahydro-	c142687
935	C₅H₁₀O	2-Pentanone	mpk
936	C₅H₁₀O	Cyclopentanol	c96413
937	C₅H₁₀O	Oxetane, 3,3-dimethyl-	c6921353
938	C₅H₁₀O	Pentanal	pal
939	C₅H₁₀S	2H-Thiopyran, tetrahydro-	c1613510
940	C₅H₁₀S	3-Ethylthio-1-propene	c5296628
941	C₅H₁₀S	Cyclopentanethiol	c1679078
942	C₅H₁₀S	Thiophene, tetrahydro-2-methyl-	c1795091
943	C₅H₁₀S	Thiophene, tetrahydro-3-methyl-	c4740005
944	C₄H₁₀O₂	1,1-Dimethoxyethane	c534156
945	C₄H₁₀O₂	1,3-Butanediol	budiol13
946	C₄H₁₀O₂	1,4-Butanediol	budiol14
947	C₄H₁₀O₂	Ethane, 1,2-dimethoxy-	c110714
948	C₄H₁₀OS	Diethyl sulfoxide	c70291
949	C₄H₁₀S₂	1,4-Butanedithiol	budisl14
950	C₄H₁₁NO	Diethylhydroxylamine	c3710847
951	C₅H₁₂O	1-Butanol, 2-methyl-	c137326
952	C₅H₁₂O	1-Butanol, 3-methyl-	c123513
953	C₅H₁₂O	1-Pentanol	pentanol1
954	C₅H₁₂O	2-Butanol, 3-methyl-	c598754
955	C₅H₁₂O	2-Pentanol	peol2
956	C₅H₁₂O	3-Pentanol	pentan3ol
957	C₅H₁₂O	Butane, 1-methoxy-	meobu
958	C₅H₁₂O	Propane, 1-ethoxy-	proet
959	C₅H₁₂O	Propane, 2-methoxy-2-methyl-	c1634044
960	C₅H₁₂S	1-Butanethiol, 2-methyl-	c1878188
961	C₅H₁₂S	1-Butanethiol, 3-methyl-	c541311
962	C₅H₁₂S	1-Pentanethiol	c110667
963	C₅H₁₂S	1-Propanethiol, 2,2-dimethyl-	c1679089
964	C₅H₁₂S	2-Butanethiol, 2-methyl-	c1679090
965	C₅H₁₂S	2-Butanethiol, 3-methyl-	c2084186
966	C₅H₁₂S	Butane, 1-(methylthio)-	c628295
967	C₅H₁₂S	Ethyl propyl sulfide	c4110503
968	C₅H₁₂S	Propane, 2-(ethylthio)-	c5145993
969	C₅H₁₂S	Propane, 2-methyl-2-(methylthio)-	c6163640
970	CF₃CN	Acetonitrile, trifluoro-	cf3cn
971	CF₃CN⁺	Acetonitrile, trifluoro- cation	cf3cn+
972	B₂F₄	Diboron tetrafluoride	b2f4
973	C₂F₄	Tetrafluoroethylene	c2f4
974	C₂F₄⁺	Tetrafluoroethylene cation	c2f4+
975	C₂FCl₃	fluorotrichloroethene	c2fcl3
976	C₂Cl₄	Tetrachloroethylene	c2cl4
977	AsF₅	Arsenic pentafluoride	asf5
978	PCl₅	Phosphorus pentachloride	pcl5
979	SbCl₅	Antimony pentachloride	sbcl5
980	BrF₅	bromine pentafluoride	brf5
981	ClF₅	chlorinepentafluoride	clf5
982	IF₅	pentafluoroiodine	if5
983	CF₃CHO	trifluoroacetaldehyde	cf3cho
984	CCl₃CHO	trichloroacetaldehyde	ccl3cho
985	CF₃CH₂F	1,1,1,2-tetrafluoroethane	cf3ch2f
986	CF₃CH₂Cl	2,2,2-Trifluoroethyl chloride	cf3ch2cl
987	C₃H₅ClO₂	Carbonochloridic acid, ethyl ester	c541413
988	C₃H₅Cl₃	Propane, 1,2,3-trichloro-	prcl135
989	C₄H₈Cl₂	1,4-Dichlorobutane	c110565
990	C₄H₈Cl₂	Butane, 1,2-dichloro-	c616217
991	C₄H₈Cl₂	Butane, 1,3-dichloro-	c1190223
992	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,r)-(.+/-.)-	c2211678
993	C₄H₈Cl₂	Butane, 2,3-dichloro-, (r,s)-	c4028562
994	C₄H₉ClO	1-Chloro-2-ethoxyethane	c628342
995	C₅H₁₁Cl	Pentane, 1-chloro-	pencl1
996	C₆H₅CH₂	benzyl radical	benzyl
997	C₆H₅CH₃	toluene	toluene
998	C₇H₈	cycloheptatriene	cht
999	C₇H₈	Norbornadiene	norbor
1000	C₇H₈	Quadricyclane	qucy
1001	C₇H₁₂	Norbornane	nor
1002	C₇H₁₆	2-methylhexane	2mhex
1003	C₇H₁₆	3-methylhexane	hex3m
1004	C₇H₁₆	heptane	heptane
1005	C₆H₇N	2-Methylpyridine	mp
1006	C₆H₅NH₂	aniline	aniline
1007	C₆H₁₃N	2-Methylpiperidine	pip2m
1008	C₆H₁₃N	cyclohexanamine	cham
1009	N₂O₅	Dinitrogen pentoxide	n2o5
1010	C₄H₂O₃	Maleic Anhydride	malan
1011	C₅H₄O₂	4-Cyclopentene-1,3-dione	cpdio
1012	C₆H₅O	phenoxy radical	phenoxy
1013	C₅H₅NO	2(1H)-Pyridinone	c72762006
1014	C₅H₅NO	2(3H)-Pyridinone	c9000048
1015	C₅H₅NO	2(5H)-Pyridinone	c9000037
1016	C₅H₅NO	2-Pyridinol	c109104
1017	C₅H₅NO	3(2H)-Pyridinone	c9000004
1018	C₅H₅NO	3(4H)-Pyridinone	c9000026
1019	C₅H₅NO	3(6H)-Pyridinone	c9000015
1020	C₅H₅NO	3-Pyridinol	c109002
1021	C₅H₅NO	4(1H)-Pryidinone	c9000060
1022	C₅H₅NO	4(3H)-Pryidinone	c9000059
1023	C₅H₅NO	4-Pyridinol	c626642
1024	C₆H₅OH	phenol	phenol
1025	C₆H₆O	2,4-Cyclohexadienone	c24599573
1026	C₆H₅SH	Benzenethiol	phsh
1027	C₄H₈O₂S	Sulfolane	sulfolane
1028	CH(C₂H₃)₃	trivinyl methane	tvm
1029	C₆H₁₀O	cyclohexanone	chexo
1030	C₆H₁₂O	hexanal	c6h12o
1031	CF₃COCl	trifluoroacetyl chloride	cf3cocl
1032	CF₃CHFCl	1,1,1,2-tetrafluorochloroethane	cf3chfcl
1033	CF₃CHCl₂	1,1-Dichloro-2,2,2-trifluoroethane	cf3chcl2
1034	CHCl₂CClF₂	Ethane, 1,2,2-trichloro-1,1-difluoro-	chcl2cclf2
1035	CCl₃CHCl₂	pentachloroethane	ccl3chcl2
1036	C₆H₅F	Fluorobenzene	bzf
1037	C₆H₅Cl	chlorobenzene	bzcl
1038	C₆H₅Br	bromobenzene	bzbr
1039	C₆H₅CCH	phenylacetylene	phac
1040	C₆H₅CHCH₂	Styrene	styrene
1041	C₈H₈	cyclooctatetraene	cot
1042	C₆H₅CH₂CH₃	Ethylbenzene	etbz
1043	CH₃C₆H₄CH₃	meta-xylene	mxylene
1044	CH₃C₆H₄CH₃	paraxylene	pxylene
1045	C₈H₁₈	Octane	c8h18
1046	C₆H₅CN	phenyl cyanide	phcn
1047	C₆H₁₂N₂	Triethylenediamine	ted
1048	C₄O₄^--	squarate dianion	c4o4--
1049	S₈	Octasulfur	s8
1050	C₆H₄O₂	parabenzoquinone	pbq
1051	C₄H₄N₂O₂	Uracil	uracil
1052	C₆H₅OCH₃	Anisole	anisole
1053	C₆H₁₂O₂	Methyl pivalate	c598981
1054	C₆H₁₂O₂	Hexanoic acid	hexa
1055	CF₃CF₂Cl	pentafluorochloroethane	cf3cf2cl
1056	CF₂ClCF₂Cl	1,2-Dichloro-1,1,2,2-tetrafluoroethane	cf2clcf2cl
1057	CF₃CFCl₂	1,1-Dichlorotetrafluoroethane	cf3cfcl2
1058	CF₂ClCFCl₂	Ethane, 1,1,2-trichloro-1,2,2-trifluoro-	cf2clcfcl2
1059	CF₃CCl₃	1,1,1-trifluoro-2,2,2-trichloroethane	cf3ccl3
1060	C₂F₆	hexafluoroethane	c2f6
1061	IF₇	Iodine heptafluoride	if7
1062	C₆H₄F₂	metadifluorobenzene	mdfb
1063	C₆H₄F₂	orthodifluorobenzene	odfb
1064	C₅H₄N₄	purine	purine
1065	C₈H₇N	Indole	indole
1066	C₆H₅NO₂	Nitrobenzene	c6h5no2
1067	C₆H₅COOH	benzoic acid	benzo
1068	C₃Cl₃N₃	1,3,5-Triazine, 2,4,6-trichloro-	c3cl3n3
1069	C₁₀H₁₆	adamantane	adamantane
1070	C₆N₄	Tetracyanoethylene	tcne
1071	C₆N₄^-	tetracyanoethylene anion	tcne-
1072	C₄F₆	perfluorobutadiene	c4f6
1073	SF₅CF₃	Sulfur, pentafluoro(trifluoromethyl)-	sf5cf3
1074	C₃F₈	perfluoropropane	c3f8
1075	Fe(CO)₅	Iron pentacarbonyl	ipc
1076	Fe(C₅H₅)₂	ferrocene	fecp2
1077	B₁₂H₁₂^--	Dodecahydrododecaborate(2-)	b12h12--
1078	C₁₂H₈	Acenaphthylene	acenaph
1079	C₁₂H₁₀	biphenyl	biphenyl
1080	C₆F₆	hexafluorobenzene	c6f6
1081	C₁₄H₁₀	Anthracene	anth
1082	C₁₄H₁₀	Phenanthrene	phenanthrene
1083	C₁₆H₁₀	Pyrene	pyrene
1084	C₁₈H₁₂	Tetracene	tetracene

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities